4-[4-(thiomorpholine-4-carbonyl)benzenesulfonyl]morpholine

• ChemBase ID: 579974
• Molecular Formular: C15H20N2O4S2
• Molecular Mass: 356.4603
• Monoisotopic Mass: 356.08644913
• SMILES: S(=O)(=O)(N1CCOCC1)c1ccc(C(=O)N2CCSCC2)cc1
• Canonical SMILES: O=C(c1ccc(cc1)S(=O)(=O)N1CCOCC1)N1CCSCC1
• InChI: InChI=1S/C15H20N2O4S2/c18-15(16-7-11-22-12-8-16)13-1-3-14(4-2-13)23(19,20)17-5-9-21-10-6-17/h1-4H,5-12H2
• InChIKey: ZCRGRCAVUIIGRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(thiomorpholine-4-carbonyl)benzenesulfonyl]morpholine
• IUPAC Traditional name: 4-[4-(thiomorpholine-4-carbonyl)benzenesulfonyl]morpholine
• Synonyms: 4-{[4-(4-thiomorpholinylcarbonyl)phenyl]sulfonyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.4672794
• LogD (pH = 7.4): 0.46727946
• Log P: 0.46727946
• Molar Refractivity: 91.3157 cm^3
• Polarizability: 35.531593 Å^3
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.07
• LOG S: -3.17
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 2