2-(cyclohexylmethyl)-4-(thiophene-2-carbonyl)morpholine

• ChemBase ID: 675812
• Molecular Formular: C16H23NO2S
• Molecular Mass: 293.42432
• Monoisotopic Mass: 293.14494998
• SMILES: N1(C(=O)c2sccc2)CC(OCC1)CC1CCCCC1
• Canonical SMILES: O=C(c1cccs1)N1CCOC(C1)CC1CCCCC1
• InChI: InChI=1S/C16H23NO2S/c18-16(15-7-4-10-20-15)17-8-9-19-14(12-17)11-13-5-2-1-3-6-13/h4,7,10,13-14H,1-3,5-6,8-9,11-12H2
• InChIKey: JFUCUBBAVJNTBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclohexylmethyl)-4-(thiophene-2-carbonyl)morpholine
• IUPAC Traditional name: 2-(cyclohexylmethyl)-4-(thiophene-2-carbonyl)morpholine
• Synonyms: 2-(cyclohexylmethyl)-4-(2-thienylcarbonyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5062845
• LogD (pH = 7.4): 3.5062845
• Log P: 3.5062845
• Molar Refractivity: 80.9874 cm^3
• Polarizability: 31.330889 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.72
• LOG S: -3.98
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 3