2-[[1-(aminomethyl)cyclohexyl]methylamino]benzenesulfonamide

C14H23N3O2S — CID 103970388

IUPAC2-[[1-(aminomethyl)cyclohexyl]methylamino]benzenesulfonamide
SMILESNCC1(CNc2ccccc2S(N)(=O)=O)CCCCC1
InChIInChI=1S/C14H23N3O2S/c15-10-14(8-4-1-5-9-14)11-17-12-6-2-3-7-13(12)20(16,18)19/h2-3,6-7,17H,1,4-5,8-11,15H2,(H2,16,18,19)
InChIKeyXRWJSJPPHXFQMS-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.66
Rot. Bonds5

About 2-[[1-(aminomethyl)cyclohexyl]methylamino]benzenesulfonamide

2-[[1-(aminomethyl)cyclohexyl]methylamino]benzenesulfonamide (PubChem CID 103970388) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)cyclohexyl]methylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-[[1-(aminomethyl)cyclohexyl]methylamino]benzenesulfonamide
PubChem CID103970388
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-[[1-(aminomethyl)cyclohexyl]methylamino]benzenesulfonamide
SMILESNCC1(CNc2ccccc2S(N)(=O)=O)CCCCC1
InChIInChI=1S/C14H23N3O2S/c15-10-14(8-4-1-5-9-14)11-17-12-6-2-3-7-13(12)20(16,18)19/h2-3,6-7,17H,1,4-5,8-11,15H2,(H2,16,18,19)
InChIKeyXRWJSJPPHXFQMS-UHFFFAOYSA-N
XLogP1.66
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(aminomethyl)cyclohexyl]methylamino]benzenesulfonamide 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

1-[(2-sulfamoylanilino)methyl]cyclohexane-1-carboxylic acid
CID 115436037
2-amino-3-[[1-(hydroxymethyl)cyclohexyl]methylamino]benzenesulfonamide
CID 103965374
N-[[1-(aminomethyl)cyclohexyl]methyl]aniline
CID 115438130
2-amino-3-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzenesulfonamide
CID 115992904
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-bromobenzenesulfonamide
CID 115271965
N-[(1-ethylcyclobutyl)methyl]-2-methylsulfonylaniline
CID 103741798
1-(2-sulfamoylanilino)cyclohexane-1-carboxylic acid
CID 61292362
2-[(3-hydroxyoxolan-3-yl)methylamino]benzenesulfonamide
CID 106102216
2-(2,2-dimethylpropylamino)benzenesulfonamide
CID 61166662
N-[(1-methylcyclohexyl)methyl]-2-methylsulfonylaniline
CID 103753761
N-[[1-(aminomethyl)cyclohexyl]methyl]pyridin-2-amine
CID 103970402
2-amino-3-[(1-methylcyclopentyl)methylamino]benzenesulfonamide
CID 112674911

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)cyclohexyl]methylamino]benzenesulfonamide?
The IUPAC name of 2-[[1-(aminomethyl)cyclohexyl]methylamino]benzenesulfonamide (CID 103970388) is 2-[[1-(aminomethyl)cyclohexyl]methylamino]benzenesulfonamide.
What is the SMILES notation for 2-[[1-(aminomethyl)cyclohexyl]methylamino]benzenesulfonamide?
The canonical SMILES for 2-[[1-(aminomethyl)cyclohexyl]methylamino]benzenesulfonamide is NCC1(CNc2ccccc2S(N)(=O)=O)CCCCC1.
What is the InChIKey of 2-[[1-(aminomethyl)cyclohexyl]methylamino]benzenesulfonamide?
The InChIKey is XRWJSJPPHXFQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c15-10-14(8-4-1-5-9-14)11-17-12-6-2-3-7-13(12)20(16,18)19/h2-3,6-7,17H,1,4-5,8-11,15H2,(H2,16,18,19).
What are the key properties of 2-[[1-(aminomethyl)cyclohexyl]methylamino]benzenesulfonamide?
2-[[1-(aminomethyl)cyclohexyl]methylamino]benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)cyclohexyl]methylamino]benzenesulfonamide is sourced from PubChem (CID 103970388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).