2-amino-N,N-dimethyl-3-[(3-methylcyclohexyl)amino]benzenesulfonamide

C15H25N3O2S — CID 107115787

IUPAC2-amino-N,N-dimethyl-3-[(3-methylcyclohexyl)amino]benzenesulfonamide
SMILESCC1CCCC(Nc2cccc(S(=O)(=O)N(C)C)c2N)C1
InChIInChI=1S/C15H25N3O2S/c1-11-6-4-7-12(10-11)17-13-8-5-9-14(15(13)16)21(19,20)18(2)3/h5,8-9,11-12,17H,4,6-7,10,16H2,1-3H3
InChIKeyNQYJGWJHOXYTHQ-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.51
Rot. Bonds4

About 2-amino-N,N-dimethyl-3-[(3-methylcyclohexyl)amino]benzenesulfonamide

2-amino-N,N-dimethyl-3-[(3-methylcyclohexyl)amino]benzenesulfonamide (PubChem CID 107115787) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-amino-N,N-dimethyl-3-[(3-methylcyclohexyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N,N-dimethyl-3-[(3-methylcyclohexyl)amino]benzenesulfonamide
PubChem CID107115787
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-amino-N,N-dimethyl-3-[(3-methylcyclohexyl)amino]benzenesulfonamide
SMILESCC1CCCC(Nc2cccc(S(=O)(=O)N(C)C)c2N)C1
InChIInChI=1S/C15H25N3O2S/c1-11-6-4-7-12(10-11)17-13-8-5-9-14(15(13)16)21(19,20)18(2)3/h5,8-9,11-12,17H,4,6-7,10,16H2,1-3H3
InChIKeyNQYJGWJHOXYTHQ-UHFFFAOYSA-N
XLogP2.51
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-N,N-dimethyl-3-[(3-methylcyclohexyl)amino]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

2-(cyclopentylamino)-N,N-dimethylbenzenesulfonamide
CID 43383449
2-(cycloheptylamino)-N,N-dimethylbenzenesulfonamide
CID 43454494
ethyl 2-amino-3-[(3-methylcyclohexyl)amino]benzoate
CID 115544799
2-amino-3-(cyclohexylamino)benzenesulfonamide
CID 112674592
2-amino-3-(tert-butylamino)-N,N-dimethylbenzenesulfonamide
CID 107115613
2-[(3-methylcyclohexyl)amino]-N-propylbenzenesulfonamide
CID 43454559
2-amino-3-[cyclobutylmethyl(methyl)amino]-N,N-dimethylbenzenesulfonamide
CID 107116258
2-amino-N,N-dimethyl-3-(4-methylanilino)benzenesulfonamide
CID 107115709
2-amino-N,N-dimethyl-3-(oxan-4-ylmethylamino)benzenesulfonamide
CID 107116318
2-methyl-3-[(3-methylcyclobutyl)amino]benzenesulfonamide
CID 103561715
N,N-dimethyl-2-(piperidin-3-ylamino)benzenesulfonamide
CID 55203561
4-amino-3-[(3-methylcyclohexyl)amino]benzenesulfonamide
CID 82907463

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-dimethyl-3-[(3-methylcyclohexyl)amino]benzenesulfonamide?
The IUPAC name of 2-amino-N,N-dimethyl-3-[(3-methylcyclohexyl)amino]benzenesulfonamide (CID 107115787) is 2-amino-N,N-dimethyl-3-[(3-methylcyclohexyl)amino]benzenesulfonamide.
What is the SMILES notation for 2-amino-N,N-dimethyl-3-[(3-methylcyclohexyl)amino]benzenesulfonamide?
The canonical SMILES for 2-amino-N,N-dimethyl-3-[(3-methylcyclohexyl)amino]benzenesulfonamide is CC1CCCC(Nc2cccc(S(=O)(=O)N(C)C)c2N)C1.
What is the InChIKey of 2-amino-N,N-dimethyl-3-[(3-methylcyclohexyl)amino]benzenesulfonamide?
The InChIKey is NQYJGWJHOXYTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-11-6-4-7-12(10-11)17-13-8-5-9-14(15(13)16)21(19,20)18(2)3/h5,8-9,11-12,17H,4,6-7,10,16H2,1-3H3.
What are the key properties of 2-amino-N,N-dimethyl-3-[(3-methylcyclohexyl)amino]benzenesulfonamide?
2-amino-N,N-dimethyl-3-[(3-methylcyclohexyl)amino]benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-dimethyl-3-[(3-methylcyclohexyl)amino]benzenesulfonamide is sourced from PubChem (CID 107115787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).