3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide

C15H24N2O2S — CID 64734342

IUPAC3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(NC2CCC(C)C(C)C2)c1
InChIInChI=1S/C15H24N2O2S/c1-11-7-8-14(9-12(11)2)17-13-5-4-6-15(10-13)20(18,19)16-3/h4-6,10-12,14,16-17H,7-9H2,1-3H3
InChIKeySOGQOXPRUSOCHG-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.83
Rot. Bonds4

About 3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide

3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide (PubChem CID 64734342) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide
PubChem CID64734342
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(NC2CCC(C)C(C)C2)c1
InChIInChI=1S/C15H24N2O2S/c1-11-7-8-14(9-12(11)2)17-13-5-4-6-15(10-13)20(18,19)16-3/h4-6,10-12,14,16-17H,7-9H2,1-3H3
InChIKeySOGQOXPRUSOCHG-UHFFFAOYSA-N
XLogP2.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide 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

N-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzenesulfonamide
CID 62704990
N-[3-[(3,4-dimethylcyclohexyl)amino]phenyl]methanesulfonamide
CID 64732200
4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 82901713
N-(3,4-dimethylcyclohexyl)-3-fluoroaniline
CID 64731978
N-methyl-3-(thian-3-ylamino)benzenesulfonamide
CID 62871608
N-(3,4-dimethylcyclohexyl)-3-propan-2-ylaniline
CID 64731999
N-methyl-3-(methylamino)benzenesulfonamide
CID 63089854
N-(3,4-dimethylcyclohexyl)-4-ethylsulfonylaniline
CID 64731826
N-(3,4-dimethylcyclohexyl)-3-(1,2,4-triazol-4-yl)aniline
CID 64732793
3-acetyl-N-(3,4-dimethylcyclohexyl)benzenesulfonamide
CID 64741564
3-[(2,2-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 79828479
5-methyl-N-(3-methylsulfonylphenyl)thiolan-3-amine
CID 79942473

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide?
The IUPAC name of 3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide (CID 64734342) is 3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cccc(NC2CCC(C)C(C)C2)c1.
What is the InChIKey of 3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide?
The InChIKey is SOGQOXPRUSOCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11-7-8-14(9-12(11)2)17-13-5-4-6-15(10-13)20(18,19)16-3/h4-6,10-12,14,16-17H,7-9H2,1-3H3.
What are the key properties of 3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide?
3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 64734342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).