1-methylpiperidine-4-sulfonamide hydrochloride

• ChemBase ID: 275631
• Molecular Formular: C6H15ClN2O2S
• Molecular Mass: 214.7135
• Monoisotopic Mass: 214.05427641
• SMILES: S(=O)(=O)(C1CCN(CC1)C)N.Cl
• Canonical SMILES: CN1CCC(CC1)S(=O)(=O)N.Cl
• InChI: InChI=1S/C6H14N2O2S.ClH/c1-8-4-2-6(3-5-8)11(7,9)10;/h6H,2-5H2,1H3,(H2,7,9,10);1H
• InChIKey: XFSKMFZTYBBNKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methylpiperidine-4-sulfonamide hydrochloride
• IUPAC Traditional name: 1-methylpiperidine-4-sulfonamide hydrochloride
• Synonyms: 1-methylpiperidine-4-sulfonamide hydrochloride

Database IDs

• MDL Number: MFCD18917392
• PubChem SID: 164331541
• PubChem CID: 54593787

CALCULATED PROPERTIES

• Acid pKa: 11.25766
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.6383493
• LogD (pH = 7.4): -1.8784441
• Log P: -1.204065
• Molar Refractivity: 43.7656 cm^3
• Polarizability: 17.934917 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.436

Product Information

• Purity: 95%