4-{2-[1-(pyridine-3-sulfonyl)piperidin-2-yl]ethyl}morpholine

• ChemBase ID: 429046
• Molecular Formular: C16H25N3O3S
• Molecular Mass: 339.453
• Monoisotopic Mass: 339.16166268
• SMILES: S(=O)(=O)(N1C(CCN2CCOCC2)CCCC1)c1cnccc1
• Canonical SMILES: O=S(=O)(N1CCCCC1CCN1CCOCC1)c1cccnc1
• InChI: InChI=1S/C16H25N3O3S/c20-23(21,16-5-3-7-17-14-16)19-8-2-1-4-15(19)6-9-18-10-12-22-13-11-18/h3,5,7,14-15H,1-2,4,6,8-13H2
• InChIKey: ASZBLRGKKZXMNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-[1-(pyridine-3-sulfonyl)piperidin-2-yl]ethyl}morpholine
• IUPAC Traditional name: 4-{2-[1-(pyridine-3-sulfonyl)piperidin-2-yl]ethyl}morpholine
• Synonyms: 4-{2-[1-(3-pyridinylsulfonyl)-2-piperidinyl]ethyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.38010883
• LogD (pH = 7.4): 0.53689474
• Log P: 0.5791933
• Molar Refractivity: 89.6236 cm^3
• Polarizability: 35.74439 Å^3
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.05
• LOG S: -1.56
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 4