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

• ChemBase ID: 252508
• Molecular Formular: C9H17ClN2O2S2
• Molecular Mass: 284.82648
• Monoisotopic Mass: 284.04199747
• SMILES: S(=O)(=O)(c1sc(cc1)CN)N(CC)CC.Cl
• Canonical SMILES: CCN(S(=O)(=O)c1ccc(s1)CN)CC.Cl
• InChI: InChI=1S/C9H16N2O2S2.ClH/c1-3-11(4-2)15(12,13)9-6-5-8(7-10)14-9;/h5-6H,3-4,7,10H2,1-2H3;1H
• InChIKey: HJWIPAZIMPJRHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08457594
• PubChem SID: 164308418
• PubChem CID: 16337338

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.436108
• LogD (pH = 7.4): 0.25817627
• Log P: 0.9448904
• Molar Refractivity: 62.0297 cm^3
• Polarizability: 25.05813 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.068

Product Information

• Purity: 95%
• Salt Data: HCl