N,N-dimethylpiperidine-4-sulfonamide hydrochloride

• ChemBase ID: 55074
• Molecular Formular: C7H17ClN2O2S
• Molecular Mass: 228.74008
• Monoisotopic Mass: 228.06992647
• SMILES: C1C(CCNC1)S(=O)(=O)N(C)C.Cl
• Canonical SMILES: CN(S(=O)(=O)C1CCNCC1)C.Cl
• InChI: InChI=1S/C7H16N2O2S.ClH/c1-9(2)12(10,11)7-3-5-8-6-4-7;/h7-8H,3-6H2,1-2H3;1H
• InChIKey: ISCJPEJPLAOFAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethylpiperidine-4-sulfonamide hydrochloride
• IUPAC Traditional name: N,N-dimethylpiperidine-4-sulfonamide hydrochloride
• Synonyms: N,N-Dimethylpiperidine-4-sulfonamide hydrochloride

Database IDs

• MDL Number: MFCD18205947
• PubChem SID: 162059837
• PubChem CID: 56773450

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.3131876
• LogD (pH = 7.4): -3.2207937
• Log P: -1.1397607
• Molar Refractivity: 48.2643 cm^3
• Polarizability: 19.764751 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false