piperidin-4-ylmethanesulfonamide hydrochloride

• ChemBase ID: 269808
• Molecular Formular: C6H15ClN2O2S
• Molecular Mass: 214.7135
• Monoisotopic Mass: 214.05427641
• SMILES: S(=O)(=O)(CC1CCNCC1)N.Cl
• Canonical SMILES: NS(=O)(=O)CC1CCNCC1.Cl
• InChI: InChI=1S/C6H14N2O2S.ClH/c7-11(9,10)5-6-1-3-8-4-2-6;/h6,8H,1-5H2,(H2,7,9,10);1H
• InChIKey: XYOMFSBVGBCIRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidin-4-ylmethanesulfonamide hydrochloride
• IUPAC Traditional name: piperidin-4-ylmethanesulfonamide hydrochloride
• Synonyms: piperidin-4-ylmethanesulfonamide hydrochloride

Database IDs

• MDL Number: MFCD16990691
• PubChem SID: 164325718
• PubChem CID: 50988745

CALCULATED PROPERTIES

• Acid pKa: 11.083747
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.4998035
• LogD (pH = 7.4): -3.8296072
• Log P: -1.561932
• Molar Refractivity: 43.1651 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

• Melting Point: 183 - 185°C
• Hydrophobicity(logP): -1.263

Product Information

• Purity: 95%