N-ethyl-N-(piperidin-4-yl)methanesulfonamide hydrochloride

• ChemBase ID: 272540
• Molecular Formular: C8H19ClN2O2S
• Molecular Mass: 242.76666
• Monoisotopic Mass: 242.08557654
• SMILES: S(=O)(=O)(N(C1CCNCC1)CC)C.Cl
• Canonical SMILES: CCN(S(=O)(=O)C)C1CCNCC1.Cl
• InChI: InChI=1S/C8H18N2O2S.ClH/c1-3-10(13(2,11)12)8-4-6-9-7-5-8;/h8-9H,3-7H2,1-2H3;1H
• InChIKey: NFUXIHYDBVVORQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-(piperidin-4-yl)methanesulfonamide hydrochloride
• IUPAC Traditional name: N-ethyl-N-(piperidin-4-yl)methanesulfonamide hydrochloride
• Synonyms: N-ethyl-N-(piperidin-4-yl)methanesulfonamide hydrochloride

Database IDs

• MDL Number: MFCD18380713
• PubChem SID: 164328450
• PubChem CID: 50988225

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.307362
• LogD (pH = 7.4): -3.620414
• Log P: -1.0873313
• Molar Refractivity: 52.7653 cm^3
• Polarizability: 21.597046 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.471

Product Information

• Purity: 95%