2-(3-phenylpropyl)-4-(pyridine-3-sulfonyl)morpholine

• ChemBase ID: 737914
• Molecular Formular: C18H22N2O3S
• Molecular Mass: 346.44388
• Monoisotopic Mass: 346.13511357
• SMILES: S(=O)(=O)(N1CC(OCC1)CCCc1ccccc1)c1cnccc1
• Canonical SMILES: O=S(=O)(c1cccnc1)N1CCOC(C1)CCCc1ccccc1
• InChI: InChI=1S/C18H22N2O3S/c21-24(22,18-10-5-11-19-14-18)20-12-13-23-17(15-20)9-4-8-16-6-2-1-3-7-16/h1-3,5-7,10-11,14,17H,4,8-9,12-13,15H2
• InChIKey: QNWPYLLOWVAUOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-phenylpropyl)-4-(pyridine-3-sulfonyl)morpholine
• IUPAC Traditional name: 2-(3-phenylpropyl)-4-(pyridine-3-sulfonyl)morpholine
• Synonyms: 2-(3-phenylpropyl)-4-(3-pyridinylsulfonyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.5524797
• LogD (pH = 7.4): 2.5524943
• Log P: 2.5524945
• Molar Refractivity: 93.1667 cm^3
• Polarizability: 37.08044 Å^3
• Polar Surface Area: 59.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.93
• LOG S: -3.62
• Polar Surface Area: 59.5 Å^2
• Rotatable Bonds: 5