4-amino-N,N,5-trimethylthiophene-2-sulfonamide

• ChemBase ID: 274069
• Molecular Formular: C7H12N2O2S2
• Molecular Mass: 220.31238
• Monoisotopic Mass: 220.03401963
• SMILES: S(=O)(=O)(c1cc(c(s1)C)N)N(C)C
• Canonical SMILES: Nc1cc(sc1C)S(=O)(=O)N(C)C
• InChI: InChI=1S/C7H12N2O2S2/c1-5-6(8)4-7(12-5)13(10,11)9(2)3/h4H,8H2,1-3H3
• InChIKey: MWVAIRPYOHBCDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-N,N,5-trimethylthiophene-2-sulfonamide
• IUPAC Traditional name: 4-amino-N,N,5-trimethylthiophene-2-sulfonamide
• Synonyms: 4-amino-N,N,5-trimethylthiophene-2-sulfonamide

Database IDs

• MDL Number: MFCD18838724
• PubChem SID: 164329979
• PubChem CID: 54593020

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7900015
• LogD (pH = 7.4): 0.7900015
• Log P: 0.7900015
• Molar Refractivity: 54.0317 cm^3
• Polarizability: 20.941586 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.797

Product Information

• Purity: 95%