1-[3-(aminomethyl)phenyl]-N-[(2-methylcyclopentyl)methyl]methanesulfonamide

C15H24N2O2S — CID 107417773

IUPAC1-[3-(aminomethyl)phenyl]-N-[(2-methylcyclopentyl)methyl]methanesulfonamide
SMILESCC1CCCC1CNS(=O)(=O)Cc1cccc(CN)c1
InChIInChI=1S/C15H24N2O2S/c1-12-4-2-7-15(12)10-17-20(18,19)11-14-6-3-5-13(8-14)9-16/h3,5-6,8,12,15,17H,2,4,7,9-11,16H2,1H3
InChIKeySZJHWJOLQJRXRG-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.00
Rot. Bonds6

About 1-[3-(aminomethyl)phenyl]-N-[(2-methylcyclopentyl)methyl]methanesulfonamide

1-[3-(aminomethyl)phenyl]-N-[(2-methylcyclopentyl)methyl]methanesulfonamide (PubChem CID 107417773) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-N-[(2-methylcyclopentyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-N-[(2-methylcyclopentyl)methyl]methanesulfonamide
PubChem CID107417773
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-[3-(aminomethyl)phenyl]-N-[(2-methylcyclopentyl)methyl]methanesulfonamide
SMILESCC1CCCC1CNS(=O)(=O)Cc1cccc(CN)c1
InChIInChI=1S/C15H24N2O2S/c1-12-4-2-7-15(12)10-17-20(18,19)11-14-6-3-5-13(8-14)9-16/h3,5-6,8,12,15,17H,2,4,7,9-11,16H2,1H3
InChIKeySZJHWJOLQJRXRG-UHFFFAOYSA-N
XLogP2.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-(aminomethyl)phenyl]-N-[(2-methylcyclopentyl)methyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(Aminomethyl)benzenemethanesulfonamide
CID 9167228
(+/-) Propane-2-sulfonic acid [2-(4-iodo-phenyl)-cyclopentyl]-amide
CID 10000636
(R,R) Propane-2-sulfonic acid [2-(4-iodo-phenyl)-cyclopentyl]-amide
CID 10000637
(+/-) Propane-2-sulfonic acid (2-phenyl-cyclopentyl)-amide
CID 10199241
(+,-) Cis-Propane-2-sulfonic Acid [2-(3-fluoro-phenyl)-cyclopentyl]-amide
CID 10935011
(+/-) Propane-2-sulfonic acid (2-p-tolyl-cyclopentyl)-amide
CID 10967953
1-(2-(aminomethyl)phenyl)-N-methylmethanesulfonamide
CID 9106618
2-[(3-Methylphenyl)methylazaniumyl]ethanesulfonate
CID 72200946
N-(6-methylheptan-2-yl)-1-phenylmethanesulfonamide
CID 2915412
N-benzyl-2-(butylamino)ethanesulfonamide
CID 45479989
cis-[(Methylethyl)sulfonyl](2-phenylcyclopentyl)amine
CID 11119059
N-[[3-(1-amino-3-phenylpropan-2-yl)phenyl]methyl]-1-cyclopropylmethanesulfonamide
CID 56836595

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-N-[(2-methylcyclopentyl)methyl]methanesulfonamide?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-N-[(2-methylcyclopentyl)methyl]methanesulfonamide (CID 107417773) is 1-[3-(aminomethyl)phenyl]-N-[(2-methylcyclopentyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-N-[(2-methylcyclopentyl)methyl]methanesulfonamide?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-N-[(2-methylcyclopentyl)methyl]methanesulfonamide is CC1CCCC1CNS(=O)(=O)Cc1cccc(CN)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-N-[(2-methylcyclopentyl)methyl]methanesulfonamide?
The InChIKey is SZJHWJOLQJRXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12-4-2-7-15(12)10-17-20(18,19)11-14-6-3-5-13(8-14)9-16/h3,5-6,8,12,15,17H,2,4,7,9-11,16H2,1H3.
What are the key properties of 1-[3-(aminomethyl)phenyl]-N-[(2-methylcyclopentyl)methyl]methanesulfonamide?
1-[3-(aminomethyl)phenyl]-N-[(2-methylcyclopentyl)methyl]methanesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-N-[(2-methylcyclopentyl)methyl]methanesulfonamide is sourced from PubChem (CID 107417773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).