3-[[(3,5-dimethylcyclohexyl)amino]methyl]benzenesulfonamide

C15H24N2O2S — CID 64752597

IUPAC3-[[(3,5-dimethylcyclohexyl)amino]methyl]benzenesulfonamide
SMILESCC1CC(C)CC(NCc2cccc(S(N)(=O)=O)c2)C1
InChIInChI=1S/C15H24N2O2S/c1-11-6-12(2)8-14(7-11)17-10-13-4-3-5-15(9-13)20(16,18)19/h3-5,9,11-12,14,17H,6-8,10H2,1-2H3,(H2,16,18,19)
InChIKeyLRQDMCLVHXVWJJ-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.25
Rot. Bonds4

About 3-[[(3,5-dimethylcyclohexyl)amino]methyl]benzenesulfonamide

3-[[(3,5-dimethylcyclohexyl)amino]methyl]benzenesulfonamide (PubChem CID 64752597) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-[[(3,5-dimethylcyclohexyl)amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[[(3,5-dimethylcyclohexyl)amino]methyl]benzenesulfonamide
PubChem CID64752597
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-[[(3,5-dimethylcyclohexyl)amino]methyl]benzenesulfonamide
SMILESCC1CC(C)CC(NCc2cccc(S(N)(=O)=O)c2)C1
InChIInChI=1S/C15H24N2O2S/c1-11-6-12(2)8-14(7-11)17-10-13-4-3-5-15(9-13)20(16,18)19/h3-5,9,11-12,14,17H,6-8,10H2,1-2H3,(H2,16,18,19)
InChIKeyLRQDMCLVHXVWJJ-UHFFFAOYSA-N
XLogP2.25
TPSA72.19 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 ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[(3,5-dimethylcyclohexyl)amino]methyl]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

3-[[(3-cyclopropylcyclohexyl)amino]methyl]benzenesulfonamide
CID 64623774
3,5-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64724021
3-[[(2-methyloxolan-3-yl)amino]methyl]benzenesulfonamide
CID 82727555
3-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]benzenesulfonamide
CID 62982169
3-[(ethylsulfonylamino)methyl]benzenesulfonamide
CID 47337146
3-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclobutan-1-amine
CID 103720846
3-[[(4-methylphenyl)methylamino]methyl]benzenesulfonamide
CID 60860114
2-methyl-1-(2-methylcyclopropyl)-3-[(3-sulfamoylphenyl)methyl]guanidine
CID 111961555
3-[(pentan-3-ylamino)methyl]benzenesulfonamide
CID 54927067
N',4-dimethyl-N-[(3-sulfamoylphenyl)methyl]piperidine-1-carboximidamide
CID 111210601
3-[[[4-cyano-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]benzenesulfonamide
CID 23133731
3-methyl-N-[(3-propoxyphenyl)methyl]cyclobutan-1-amine
CID 115671617

Frequently Asked Questions

What is the IUPAC name of 3-[[(3,5-dimethylcyclohexyl)amino]methyl]benzenesulfonamide?
The IUPAC name of 3-[[(3,5-dimethylcyclohexyl)amino]methyl]benzenesulfonamide (CID 64752597) is 3-[[(3,5-dimethylcyclohexyl)amino]methyl]benzenesulfonamide.
What is the SMILES notation for 3-[[(3,5-dimethylcyclohexyl)amino]methyl]benzenesulfonamide?
The canonical SMILES for 3-[[(3,5-dimethylcyclohexyl)amino]methyl]benzenesulfonamide is CC1CC(C)CC(NCc2cccc(S(N)(=O)=O)c2)C1.
What is the InChIKey of 3-[[(3,5-dimethylcyclohexyl)amino]methyl]benzenesulfonamide?
The InChIKey is LRQDMCLVHXVWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11-6-12(2)8-14(7-11)17-10-13-4-3-5-15(9-13)20(16,18)19/h3-5,9,11-12,14,17H,6-8,10H2,1-2H3,(H2,16,18,19).
What are the key properties of 3-[[(3,5-dimethylcyclohexyl)amino]methyl]benzenesulfonamide?
3-[[(3,5-dimethylcyclohexyl)amino]methyl]benzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3,5-dimethylcyclohexyl)amino]methyl]benzenesulfonamide is sourced from PubChem (CID 64752597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).