2-[(4-methoxyphenyl)methyl]-4-(pyrrolidine-1-sulfonyl)morpholine

• ChemBase ID: 845048
• Molecular Formular: C16H24N2O4S
• Molecular Mass: 340.43776
• Monoisotopic Mass: 340.14567826
• SMILES: S(=O)(=O)(N1CC(OCC1)Cc1ccc(cc1)OC)N1CCCC1
• Canonical SMILES: COc1ccc(cc1)CC1OCCN(C1)S(=O)(=O)N1CCCC1
• InChI: InChI=1S/C16H24N2O4S/c1-21-15-6-4-14(5-7-15)12-16-13-18(10-11-22-16)23(19,20)17-8-2-3-9-17/h4-7,16H,2-3,8-13H2,1H3
• InChIKey: QUDMYRDYILDKEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-methoxyphenyl)methyl]-4-(pyrrolidine-1-sulfonyl)morpholine
• IUPAC Traditional name: 2-[(4-methoxyphenyl)methyl]-4-(pyrrolidine-1-sulfonyl)morpholine
• Synonyms: 2-(4-methoxybenzyl)-4-(1-pyrrolidinylsulfonyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.0059267
• LogD (pH = 7.4): 1.0059274
• Log P: 1.0059274
• Molar Refractivity: 88.5449 cm^3
• Polarizability: 35.517212 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.15
• LOG S: -3.85
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 2