2-amino-4-[cyclopropyl(3-methylbutyl)amino]-N-methylbenzenesulfonamide

C15H25N3O2S — CID 80640860

IUPAC2-amino-4-[cyclopropyl(3-methylbutyl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N(CCC(C)C)C2CC2)cc1N
InChIInChI=1S/C15H25N3O2S/c1-11(2)8-9-18(12-4-5-12)13-6-7-15(14(16)10-13)21(19,20)17-3/h6-7,10-12,17H,4-5,8-9,16H2,1-3H3
InChIKeyKDZAVJSGWNXRKV-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.19
Rot. Bonds7

About 2-amino-4-[cyclopropyl(3-methylbutyl)amino]-N-methylbenzenesulfonamide

2-amino-4-[cyclopropyl(3-methylbutyl)amino]-N-methylbenzenesulfonamide (PubChem CID 80640860) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-amino-4-[cyclopropyl(3-methylbutyl)amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-[cyclopropyl(3-methylbutyl)amino]-N-methylbenzenesulfonamide
PubChem CID80640860
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-amino-4-[cyclopropyl(3-methylbutyl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N(CCC(C)C)C2CC2)cc1N
InChIInChI=1S/C15H25N3O2S/c1-11(2)8-9-18(12-4-5-12)13-6-7-15(14(16)10-13)21(19,20)17-3/h6-7,10-12,17H,4-5,8-9,16H2,1-3H3
InChIKeyKDZAVJSGWNXRKV-UHFFFAOYSA-N
XLogP2.19
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-[cyclopentyl(3-methylbutyl)amino]benzoic acid
CID 104500779
2-amino-4-[cyclopropylmethyl(propyl)amino]-N-methylbenzenesulfonamide
CID 80645589
2-amino-N-methyl-4-[methyl(pentan-3-yl)amino]benzenesulfonamide
CID 80646366
1-N-cyclopropyl-1-N-(3-methylbutyl)-4-methylsulfonylbenzene-1,2-diamine
CID 78973880
2-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-methylbenzenesulfonamide
CID 102739860
2-amino-N-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzenesulfonamide
CID 80642598
2-amino-N-methyl-4-[methyl(oxan-4-ylmethyl)amino]benzenesulfonamide
CID 80640873
4-[(1R)-1-aminoethyl]-N-cyclopropyl-N-(3-methylbutyl)aniline
CID 78935157
4-[cyclopropyl(3-methylbutyl)amino]-2-methylbenzaldehyde
CID 78944541
2-amino-4-[2-hydroxyethyl(pentan-3-yl)amino]-N-methylbenzenesulfonamide
CID 80642720
2-amino-N-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide
CID 80646293
2-amino-N-cyclopropyl-4-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 61113499

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[cyclopropyl(3-methylbutyl)amino]-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-4-[cyclopropyl(3-methylbutyl)amino]-N-methylbenzenesulfonamide (CID 80640860) is 2-amino-4-[cyclopropyl(3-methylbutyl)amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-[cyclopropyl(3-methylbutyl)amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-[cyclopropyl(3-methylbutyl)amino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(N(CCC(C)C)C2CC2)cc1N.
What is the InChIKey of 2-amino-4-[cyclopropyl(3-methylbutyl)amino]-N-methylbenzenesulfonamide?
The InChIKey is KDZAVJSGWNXRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-11(2)8-9-18(12-4-5-12)13-6-7-15(14(16)10-13)21(19,20)17-3/h6-7,10-12,17H,4-5,8-9,16H2,1-3H3.
What are the key properties of 2-amino-4-[cyclopropyl(3-methylbutyl)amino]-N-methylbenzenesulfonamide?
2-amino-4-[cyclopropyl(3-methylbutyl)amino]-N-methylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[cyclopropyl(3-methylbutyl)amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 80640860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).