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

C15H25N3O2S — CID 82901713

IUPAC4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(NC2CCC(C)C(C)C2)c1
InChIInChI=1S/C15H25N3O2S/c1-10-4-5-12(8-11(10)2)18-15-9-13(6-7-14(15)16)21(19,20)17-3/h6-7,9-12,17-18H,4-5,8,16H2,1-3H3
InChIKeyXOIULJZNUPXLHI-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.41
Rot. Bonds4

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

4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide (PubChem CID 82901713) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide
PubChem CID82901713
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(NC2CCC(C)C(C)C2)c1
InChIInChI=1S/C15H25N3O2S/c1-10-4-5-12(8-11(10)2)18-15-9-13(6-7-14(15)16)21(19,20)17-3/h6-7,9-12,17-18H,4-5,8,16H2,1-3H3
InChIKeyXOIULJZNUPXLHI-UHFFFAOYSA-N
XLogP2.41
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-methyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide
CID 82898673
4-amino-N-methyl-3-[(2-methylcyclopentyl)amino]benzenesulfonamide
CID 82900869
4-amino-N-methyl-3-(oxolan-3-ylamino)benzenesulfonamide
CID 82901171
4-amino-3-(cyclohex-3-en-1-ylamino)-N-methylbenzenesulfonamide
CID 82900583
3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 64734342
N-(3,4-dimethylcyclohexyl)-2-fluoro-5-methylsulfonylaniline
CID 64734538
2-chloro-N-(3,4-dimethylcyclohexyl)-5-methylsulfonylaniline
CID 64733775
4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide
CID 64740893
4-amino-3-[(3-methylcyclohexyl)amino]benzenesulfonamide
CID 82907463
4-amino-3-(1-cyclohexylethylamino)-N-methylbenzenesulfonamide
CID 82900358
4-amino-N-ethyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide
CID 82900359
1-N-(3,4-dimethylcyclohexyl)-4-iodobenzene-1,2-diamine
CID 66082123

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide (CID 82901713) is 4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(N)c(NC2CCC(C)C(C)C2)c1.
What is the InChIKey of 4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide?
The InChIKey is XOIULJZNUPXLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-10-4-5-12(8-11(10)2)18-15-9-13(6-7-14(15)16)21(19,20)17-3/h6-7,9-12,17-18H,4-5,8,16H2,1-3H3.
What are the key properties of 4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide?
4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 82901713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).