2-amino-N-methyl-4-[methyl(pentan-3-yl)amino]benzenesulfonamide

C13H23N3O2S — CID 80646366

IUPAC2-amino-N-methyl-4-[methyl(pentan-3-yl)amino]benzenesulfonamide
SMILESCCC(CC)N(C)c1ccc(S(=O)(=O)NC)c(N)c1
InChIInChI=1S/C13H23N3O2S/c1-5-10(6-2)16(4)11-7-8-13(12(14)9-11)19(17,18)15-3/h7-10,15H,5-6,14H2,1-4H3
InChIKeyIDCFLYRXQKPVEX-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.80
Rot. Bonds6

About 2-amino-N-methyl-4-[methyl(pentan-3-yl)amino]benzenesulfonamide

2-amino-N-methyl-4-[methyl(pentan-3-yl)amino]benzenesulfonamide (PubChem CID 80646366) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-amino-N-methyl-4-[methyl(pentan-3-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-methyl-4-[methyl(pentan-3-yl)amino]benzenesulfonamide
PubChem CID80646366
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name2-amino-N-methyl-4-[methyl(pentan-3-yl)amino]benzenesulfonamide
SMILESCCC(CC)N(C)c1ccc(S(=O)(=O)NC)c(N)c1
InChIInChI=1S/C13H23N3O2S/c1-5-10(6-2)16(4)11-7-8-13(12(14)9-11)19(17,18)15-3/h7-10,15H,5-6,14H2,1-4H3
InChIKeyIDCFLYRXQKPVEX-UHFFFAOYSA-N
XLogP1.80
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.80
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-[2-hydroxyethyl(pentan-3-yl)amino]-N-methylbenzenesulfonamide
CID 80642720
2-amino-N-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide
CID 80646293
1-N,4-dimethyl-1-N-pentan-3-ylbenzene-1,3-diamine
CID 62910591
2-amino-4-(3-fluoro-N-methylanilino)-N-methylbenzenesulfonamide
CID 80641129
2-amino-4-[cyclopropylmethyl(propyl)amino]-N-methylbenzenesulfonamide
CID 80645589
2-amino-N-methyl-4-[methyl(oxan-4-ylmethyl)amino]benzenesulfonamide
CID 80640873
2-amino-4-[cyclopropyl(3-methylbutyl)amino]-N-methylbenzenesulfonamide
CID 80640860
2-amino-4-(hexan-3-ylamino)-N-methylbenzenesulfonamide
CID 80645596
2-amino-N-methyl-4-(2-methylpentan-3-ylamino)benzenesulfonamide
CID 80645869
2-amino-N-methyl-4-[methyl(pyridin-3-ylmethyl)amino]benzenesulfonamide
CID 80641227
2-amino-N-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzenesulfonamide
CID 80642598
2-amino-5-[methyl(pentan-3-yl)amino]benzamide
CID 55134579

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-4-[methyl(pentan-3-yl)amino]benzenesulfonamide?
The IUPAC name of 2-amino-N-methyl-4-[methyl(pentan-3-yl)amino]benzenesulfonamide (CID 80646366) is 2-amino-N-methyl-4-[methyl(pentan-3-yl)amino]benzenesulfonamide.
What is the SMILES notation for 2-amino-N-methyl-4-[methyl(pentan-3-yl)amino]benzenesulfonamide?
The canonical SMILES for 2-amino-N-methyl-4-[methyl(pentan-3-yl)amino]benzenesulfonamide is CCC(CC)N(C)c1ccc(S(=O)(=O)NC)c(N)c1.
What is the InChIKey of 2-amino-N-methyl-4-[methyl(pentan-3-yl)amino]benzenesulfonamide?
The InChIKey is IDCFLYRXQKPVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-5-10(6-2)16(4)11-7-8-13(12(14)9-11)19(17,18)15-3/h7-10,15H,5-6,14H2,1-4H3.
What are the key properties of 2-amino-N-methyl-4-[methyl(pentan-3-yl)amino]benzenesulfonamide?
2-amino-N-methyl-4-[methyl(pentan-3-yl)amino]benzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-4-[methyl(pentan-3-yl)amino]benzenesulfonamide is sourced from PubChem (CID 80646366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).