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

• ChemBase ID: 252483
• Molecular Formular: C7H13ClN2O2S2
• Molecular Mass: 256.77332
• Monoisotopic Mass: 256.01069735
• SMILES: S(=O)(=O)(c1sc(cc1)CN)N(C)C.Cl
• Canonical SMILES: NCc1ccc(s1)S(=O)(=O)N(C)C.Cl
• InChI: InChI=1S/C7H12N2O2S2.ClH/c1-9(2)13(10,11)7-4-3-6(5-8)12-7;/h3-4H,5,8H2,1-2H3;1H
• InChIKey: BEMYUBWKXZUYKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08457595
• PubChem SID: 164308393
• PubChem CID: 16337184

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

• Melting Point: 229 - 231°C
• Hydrophobicity(logP): 0.01

Product Information

• Purity: 95%
• Salt Data: HCl