piperidin-2-ylmethanesulfonamide

• ChemBase ID: 240726
• Molecular Formular: C6H14N2O2S
• Molecular Mass: 178.25256
• Monoisotopic Mass: 178.0775987
• SMILES: S(=O)(=O)(CC1NCCCC1)N
• Canonical SMILES: NS(=O)(=O)CC1CCCCN1
• InChI: InChI=1S/C6H14N2O2S/c7-11(9,10)5-6-3-1-2-4-8-6/h6,8H,1-5H2,(H2,7,9,10)
• InChIKey: AZBJBRUOCKUSCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidin-2-ylmethanesulfonamide
• IUPAC Traditional name: piperidin-2-ylmethanesulfonamide
• Synonyms: piperidin-2-ylmethanesulfonamide

Database IDs

• MDL Number: MFCD14688440
• PubChem SID: 164296636
• PubChem CID: 61545411

CALCULATED PROPERTIES

• Acid pKa: 10.877459
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.8111682
• LogD (pH = 7.4): -2.2579324
• Log P: -0.8373305
• Molar Refractivity: 42.7273 cm^3
• Polarizability: 17.934917 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.311

Product Information

• Purity: 95%