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

• ChemBase ID: 784483
• Molecular Formular: C17H21NO3S2
• Molecular Mass: 351.48354
• Monoisotopic Mass: 351.09628554
• SMILES: S(=O)(=O)(N1CC(OCC1)CCCc1ccccc1)c1ccsc1
• Canonical SMILES: O=S(=O)(c1cscc1)N1CCOC(C1)CCCc1ccccc1
• InChI: InChI=1S/C17H21NO3S2/c19-23(20,17-9-12-22-14-17)18-10-11-21-16(13-18)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9,12,14,16H,4,7-8,10-11,13H2
• InChIKey: YSZPQWPODXGYNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-phenylpropyl)-4-(thiophene-3-sulfonyl)morpholine
• IUPAC Traditional name: 2-(3-phenylpropyl)-4-(thiophene-3-sulfonyl)morpholine
• Synonyms: 2-(3-phenylpropyl)-4-(3-thienylsulfonyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.5506089
• LogD (pH = 7.4): 3.5506089
• Log P: 3.5506089
• Molar Refractivity: 92.4294 cm^3
• Polarizability: 36.663914 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.0
• LOG S: -4.12
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 5