piperidin-3-ylmethanesulfonamide hydrochloride

• ChemBase ID: 272238
• Molecular Formular: C6H15ClN2O2S
• Molecular Mass: 214.7135
• Monoisotopic Mass: 214.05427641
• SMILES: S(=O)(=O)(CC1CNCCC1)N.Cl
• Canonical SMILES: NS(=O)(=O)CC1CCCNC1.Cl
• InChI: InChI=1S/C6H14N2O2S.ClH/c7-11(9,10)5-6-2-1-3-8-4-6;/h6,8H,1-5H2,(H2,7,9,10);1H
• InChIKey: FBAVMSZBODUYNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidin-3-ylmethanesulfonamide hydrochloride
• IUPAC Traditional name: piperidin-3-ylmethanesulfonamide hydrochloride
• Synonyms: piperidin-3-ylmethanesulfonamide hydrochloride

Database IDs

• MDL Number: MFCD18380627
• PubChem SID: 164328148
• PubChem CID: 50988743

CALCULATED PROPERTIES

• Acid pKa: 11.048489
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.436993
• LogD (pH = 7.4): -3.522038
• Log P: -1.4727114
• Molar Refractivity: 43.0663 cm^3
• Polarizability: 17.934917 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.263

Product Information

• Purity: 95%