4-(Methanesulfonyl)-3-(pyrrolidin-1-yl)aniline

Formula:C11H16N2O2S CAS:1000018-40-5 ChemrytIQ

PropertyValue
Casrn1000018-40-5
MolName4-(Methanesulfonyl)-3-(pyrrolidin-1-yl)aniline
MolecularFormulaC11H16N2O2S
SmilesCS(c(ccc(N)c1)c1N1CCCC1)(=O)=O
InChIInChI=1S/C11H16N2O2S/c1-16(14,15)11-5-4-9(12)8-10(11)13-6-2-3-7-13/h4-5,8H,2-3,6-7,12H2,1H3
InChIKAMMYEUZBQIIWPL-UHFFFAOYSA-N
CanonicalSyTyLFy2a00d7585e5a4d19
TotalMolweight240.326
Molweight240.326
MonoisotopicMass240.093248
CLogP0.4753
CLogS-2.831
H Acceptors4
H Donors1
TotalSurfaceArea174.46
Relative PSA0.2717
PolarSurfaceArea71.78
Druglikeness1.4856
Mutageniclow
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.4375
Molecula Flexibility0.39684
Molecular Complexity0.74106
Fragments1
Non HAtoms16
NonCHAtoms5
Electronegative Atoms5
Rotatable Bond2
Rings Closures2
Small Rings2
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms7
Symmetricatoms3
Amines2
Aromatic Amines2
StereoCon
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness ChemrytIQ
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100-52-7highhighhighC7H6O106.124-4.225 ChemrytIQ
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100-74-3highnonehighC6H13NO115.1753.7593 ChemrytIQ
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1000-86-8nonenonenoneC7H1296.1723-10.397 ChemrytIQ
100-04-9nonehighnoneCl.C8H10N3148.188-2.0275 ChemrytIQ
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100-91-4nonenonehighC17H25NO3291.393.3475 ChemrytIQ
100-61-8highnonenoneC7H9N107.155-0.23765 ChemrytIQ
10000-51-8nonenonenoneC14H15NO3245.2770.10503 ChemrytIQ
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100-79-8nonelownoneC6H12O3132.158-9.8672 ChemrytIQ
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1000339-52-5nonenonenoneC7H3N2O2F166.111-12.761 ChemrytIQ
100-69-6nonenonenoneC7H7N105.14-4.4598 ChemrytIQ
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100-76-5nonenonehighC7H13N111.1873.5517 ChemrytIQ
1000269-67-9nonenonenoneC13H22N4234.3460.99367 ChemrytIQ
100027-27-8nonenonenoneCH3I.C20H24N2292.4253.4994 ChemrytIQ
10002-97-8nonenonenoneC18H30O2278.4340.24997 ChemrytIQ
10003-94-8nonenonenoneC9H16N2O18P4564.118-31.509 ChemrytIQ
1000018-56-3nonenonenoneC7H4N3O2Br242.032-0.39052 ChemrytIQ
100007-54-3nonenonenoneC28H30O13574.533-1.9839 ChemrytIQ
1000018-50-7nonenonenoneC13H16N2O4264.28-7.3568 ChemrytIQ
100007-62-3nonenonehighC8H13NO139.197-8.1398 ChemrytIQ
1000339-28-5nonenonenoneC14H8N2OBrCl335.588-0.59356 ChemrytIQ
10-31-2001nonenonenoneC21H28NO6P421.428-10.542 ChemrytIQ
100-44-7highhighnoneC7H7Cl126.586-2.365 ChemrytIQ
1000017-94-6nonenonenoneC8H5N2O2Cl196.5932.9136 ChemrytIQ
100-86-7nonenonenoneC10H14O150.22-2.4187 ChemrytIQ
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1000-63-1nonenonehighC8H18O130.23-19.78 ChemrytIQ
100-33-4nonenonenoneC19H24N4O2340.426-7.2784 ChemrytIQ
100021-05-4nonenonenoneC21H28O2312.4510.95307 ChemrytIQ
100-55-0nonenonenoneC6H7NO109.128-1.9045 ChemrytIQ
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1000296-70-7nonenonenoneC19H27NO7S3477.6213.1322 ChemrytIQ
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