N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]methanesulfonamide

• ChemBase ID: 699093
• Molecular Formular: C11H22N2O3S
• Molecular Mass: 262.36898
• Monoisotopic Mass: 262.13511357
• SMILES: S(=O)(=O)(NC1CCN(CC2COCC2)CC1)C
• Canonical SMILES: CS(=O)(=O)NC1CCN(CC1)CC1COCC1
• InChI: InChI=1S/C11H22N2O3S/c1-17(14,15)12-11-2-5-13(6-3-11)8-10-4-7-16-9-10/h10-12H,2-9H2,1H3
• InChIKey: VQHUSAGXEREVGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]methanesulfonamide
• IUPAC Traditional name: N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]methanesulfonamide
• Synonyms: N-[1-(tetrahydrofuran-3-ylmethyl)piperidin-4-yl]methanesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.535682
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.2642994
• LogD (pH = 7.4): -2.54837
• Log P: -1.2659924
• Molar Refractivity: 67.0084 cm^3
• Polarizability: 27.103617 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -1.16
• LOG S: -0.43
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 3