1-(thiophene-2-sulfonyl)piperidin-4-amine hydrochloride

• ChemBase ID: 254894
• Molecular Formular: C9H15ClN2O2S2
• Molecular Mass: 282.8106
• Monoisotopic Mass: 282.02634741
• SMILES: S(=O)(=O)(c1sccc1)N1CCC(CC1)N.Cl
• Canonical SMILES: NC1CCN(CC1)S(=O)(=O)c1cccs1.Cl
• InChI: InChI=1S/C9H14N2O2S2.ClH/c10-8-3-5-11(6-4-8)15(12,13)9-2-1-7-14-9;/h1-2,7-8H,3-6,10H2;1H
• InChIKey: LUZBGXVAIDTBMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(thiophene-2-sulfonyl)piperidin-4-amine hydrochloride
• IUPAC Traditional name: 1-(thiophene-2-sulfonyl)piperidin-4-amine hydrochloride
• Synonyms: 1-(thien-2-ylsulfonyl)piperidin-4-amine hydrochloride

Database IDs

• MDL Number: MFCD09863418
• PubChem SID: 164310804
• PubChem CID: 42948157

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.8335133
• LogD (pH = 7.4): -2.2631807
• Log P: 0.18424444
• Molar Refractivity: 59.6568 cm^3
• Polarizability: 24.345316 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.264

Product Information

• Purity: 95%