1-[3-(aminomethyl)phenyl]ethanesulfonamide

C9H14N2O2S — CID 91356292

IUPAC1-[3-(aminomethyl)phenyl]ethanesulfonamide
SMILESCC(c1cccc(CN)c1)S(N)(=O)=O
InChIInChI=1S/C9H14N2O2S/c1-7(14(11,12)13)9-4-2-3-8(5-9)6-10/h2-5,7H,6,10H2,1H3,(H2,11,12,13)
InChIKeyZYBQLZPIXLUFQH-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.49
Rot. Bonds3

About 1-[3-(aminomethyl)phenyl]ethanesulfonamide

1-[3-(aminomethyl)phenyl]ethanesulfonamide (PubChem CID 91356292) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]ethanesulfonamide
PubChem CID91356292
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name1-[3-(aminomethyl)phenyl]ethanesulfonamide
SMILESCC(c1cccc(CN)c1)S(N)(=O)=O
InChIInChI=1S/C9H14N2O2S/c1-7(14(11,12)13)9-4-2-3-8(5-9)6-10/h2-5,7H,6,10H2,1H3,(H2,11,12,13)
InChIKeyZYBQLZPIXLUFQH-UHFFFAOYSA-N
XLogP0.49
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-propan-2-ylphenyl)ethanesulfonamide
CID 10082467
(3-propan-2-ylphenyl)methanamine
CID 21085835
1-(3-fluorophenyl)ethanesulfonamide
CID 62085639
[3-(1-fluoro-2-methylpropyl)phenyl]methanamine
CID 83856261
[3-(3,3-dimethylbutan-2-yl)phenyl]methanamine
CID 115018814
[3-(1-cyclopropylethyl)phenyl]methanamine
CID 115014572
3-(aminomethyl)-N-(propan-2-ylsulfamoyl)aniline
CID 114803317
[3-(3-methylbutan-2-ylsulfonylmethyl)phenyl]methanamine
CID 107766927
[1-[3-(aminomethyl)phenyl]-2-methylpropyl] carbamate
CID 174531386
1-(3,4-dimethylphenyl)ethanesulfonamide
CID 62083506
N-[3-(aminomethyl)phenyl]methanesulfonamide
CID 10495443
N-[1-[3-(aminomethyl)phenyl]ethyl]-2-chloroacetamide
CID 165440691

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]ethanesulfonamide?
The IUPAC name of 1-[3-(aminomethyl)phenyl]ethanesulfonamide (CID 91356292) is 1-[3-(aminomethyl)phenyl]ethanesulfonamide.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]ethanesulfonamide?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]ethanesulfonamide is CC(c1cccc(CN)c1)S(N)(=O)=O.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]ethanesulfonamide?
The InChIKey is ZYBQLZPIXLUFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-7(14(11,12)13)9-4-2-3-8(5-9)6-10/h2-5,7H,6,10H2,1H3,(H2,11,12,13).
What are the key properties of 1-[3-(aminomethyl)phenyl]ethanesulfonamide?
1-[3-(aminomethyl)phenyl]ethanesulfonamide has a molecular weight of 214.29 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 91356292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).