N,N-diethyl-2-(piperidin-4-yl)ethane-1-sulfonamide hydrochloride

• ChemBase ID: 260306
• Molecular Formular: C11H25ClN2O2S
• Molecular Mass: 284.8464
• Monoisotopic Mass: 284.13252673
• SMILES: S(=O)(=O)(N(CC)CC)CCC1CCNCC1.Cl
• Canonical SMILES: CCN(S(=O)(=O)CCC1CCNCC1)CC.Cl
• InChI: InChI=1S/C11H24N2O2S.ClH/c1-3-13(4-2)16(14,15)10-7-11-5-8-12-9-6-11;/h11-12H,3-10H2,1-2H3;1H
• InChIKey: AXRLREHEYJAKIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-2-(piperidin-4-yl)ethane-1-sulfonamide hydrochloride
• IUPAC Traditional name: N,N-diethyl-2-(piperidin-4-yl)ethanesulfonamide hydrochloride
• Synonyms: N,N-diethyl-2-(piperidin-4-yl)ethane-1-sulfonamide hydrochloride

Database IDs

• MDL Number: MFCD12197166
• PubChem SID: 164316216
• PubChem CID: 45791543

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.9827056
• LogD (pH = 7.4): -2.526354
• Log P: 0.24888161
• Molar Refractivity: 67.1337 cm^3
• Polarizability: 27.104336 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.206

Product Information

• Purity: 95%