5-amino-2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide

C13H23N3O2S — CID 103287459

IUPAC5-amino-2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1NCCC(C)(C)C
InChIInChI=1S/C13H23N3O2S/c1-13(2,3)7-8-16-11-6-5-10(14)9-12(11)19(17,18)15-4/h5-6,9,15-16H,7-8,14H2,1-4H3
InChIKeyVWJQAKSTETVIDH-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.03
Rot. Bonds5

About 5-amino-2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide

5-amino-2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide (PubChem CID 103287459) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 5-amino-2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide
PubChem CID103287459
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name5-amino-2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1NCCC(C)(C)C
InChIInChI=1S/C13H23N3O2S/c1-13(2,3)7-8-16-11-6-5-10(14)9-12(11)19(17,18)15-4/h5-6,9,15-16H,7-8,14H2,1-4H3
InChIKeyVWJQAKSTETVIDH-UHFFFAOYSA-N
XLogP2.03
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-2-(3,3-dimethylbutylamino)-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

2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 62951903
5-amino-N-methyl-2-(2,4,4-trimethylpentan-2-ylamino)benzenesulfonamide
CID 103286934
5-amino-N-methyl-2-[(2-methyl-2-methylsulfanylpropyl)amino]benzenesulfonamide
CID 103287383
5-amino-2-[(2-hydroxy-2-methylpentyl)amino]-N-methylbenzenesulfonamide
CID 106290279
5-amino-2-(2-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 103286731
5-amino-2-[(4-chlorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 103286589
5-amino-2-[(4-fluorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 103286616
5-amino-N-methyl-2-[(2-methylcyclopropyl)methylamino]benzenesulfonamide
CID 103287354
5-amino-N-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzenesulfonamide
CID 106393853
5-amino-N-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide
CID 106036210
5-amino-N-methyl-2-[3-(1H-1,2,4-triazol-5-yl)propylamino]benzenesulfonamide
CID 103287111
5-amino-2-[(3-hydroxy-2-methylbutan-2-yl)amino]-N-methylbenzenesulfonamide
CID 103287457

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide (CID 103287459) is 5-amino-2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(N)ccc1NCCC(C)(C)C.
What is the InChIKey of 5-amino-2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide?
The InChIKey is VWJQAKSTETVIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-13(2,3)7-8-16-11-6-5-10(14)9-12(11)19(17,18)15-4/h5-6,9,15-16H,7-8,14H2,1-4H3.
What are the key properties of 5-amino-2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide?
5-amino-2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 103287459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).