N-[2-(piperidin-2-yl)ethyl]methanesulfonamide

• ChemBase ID: 260451
• Molecular Formular: C8H18N2O2S
• Molecular Mass: 206.30572
• Monoisotopic Mass: 206.10889883
• SMILES: S(=O)(=O)(NCCC1NCCCC1)C
• Canonical SMILES: CS(=O)(=O)NCCC1CCCCN1
• InChI: InChI=1S/C8H18N2O2S/c1-13(11,12)10-7-5-8-4-2-3-6-9-8/h8-10H,2-7H2,1H3
• InChIKey: RQZYNIVGAJEPJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(piperidin-2-yl)ethyl]methanesulfonamide
• IUPAC Traditional name: N-[2-(piperidin-2-yl)ethyl]methanesulfonamide
• Synonyms: N-[2-(piperidin-2-yl)ethyl]methanesulfonamide

Database IDs

• MDL Number: MFCD05022434
• PubChem SID: 164316361
• PubChem CID: 4090533

CALCULATED PROPERTIES

• Acid pKa: 11.797237
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.9362063
• LogD (pH = 7.4): -3.447404
• Log P: -0.8677737
• Molar Refractivity: 52.3656 cm^3
• Polarizability: 21.597046 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 105 - 107°C
• Hydrophobicity(logP): 0.532

Product Information

• Purity: 95%