5-(aminomethyl)-N,N-dimethylthiophene-2-sulfonamide

• ChemBase ID: 263296
• Molecular Formular: C7H12N2O2S2
• Molecular Mass: 220.31238
• Monoisotopic Mass: 220.03401963
• SMILES: S(=O)(=O)(c1sc(cc1)CN)N(C)C
• Canonical SMILES: NCc1ccc(s1)S(=O)(=O)N(C)C
• InChI: InChI=1S/C7H12N2O2S2/c1-9(2)13(10,11)7-4-3-6(5-8)12-7/h3-4H,5,8H2,1-2H3
• InChIKey: QYPDSFRORPTCEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(aminomethyl)-N,N-dimethylthiophene-2-sulfonamide
• IUPAC Traditional name: 5-(aminomethyl)-N,N-dimethylthiophene-2-sulfonamide
• Synonyms: 5-(aminomethyl)-N,N-dimethylthiophene-2-sulfonamide

Database IDs

• MDL Number: MFCD08444347
• PubChem SID: 164319206
• PubChem CID: 16227241

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1505034
• LogD (pH = 7.4): -0.45623636
• Log P: 0.2312745
• Molar Refractivity: 52.5325 cm^3
• Polarizability: 21.400595 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.01

Product Information

• Purity: 95%