5-(2-aminoethyl)thiophene-2-sulfonamide

• ChemBase ID: 246463
• Molecular Formular: C6H10N2O2S2
• Molecular Mass: 206.2858
• Monoisotopic Mass: 206.01836957
• SMILES: S(=O)(=O)(c1sc(cc1)CCN)N
• Canonical SMILES: NCCc1ccc(s1)S(=O)(=O)N
• InChI: InChI=1S/C6H10N2O2S2/c7-4-3-5-1-2-6(11-5)12(8,9)10/h1-2H,3-4,7H2,(H2,8,9,10)
• InChIKey: ZQZFXEBUKQSRPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-aminoethyl)thiophene-2-sulfonamide
• IUPAC Traditional name: 5-(2-aminoethyl)thiophene-2-sulfonamide
• Synonyms: 5-(2-aminoethyl)thiophene-2-sulfonamide

Database IDs

• CAS Number: 109213-13-0
• MDL Number: MFCD06660828
• PubChem SID: 164302373
• PubChem CID: 4961948

CALCULATED PROPERTIES

• Acid pKa: 8.90102
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.8994813
• LogD (pH = 7.4): -1.8586125
• Log P: -0.65249884
• Molar Refractivity: 47.6045 cm^3
• Polarizability: 19.501377 Å^3
• Polar Surface Area: 86.18 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.53

Product Information

• Purity: 95%