(3S)-4-(3-chlorothiophene-2-carbonyl)-3-ethylmorpholine

• ChemBase ID: 651727
• Molecular Formular: C11H14ClNO2S
• Molecular Mass: 259.75236
• Monoisotopic Mass: 259.04337737
• SMILES: c1(C(=O)N2[C@H](COCC2)CC)c(ccs1)Cl
• Canonical SMILES: CC[C@H]1COCCN1C(=O)c1sccc1Cl
• InChI: InChI=1S/C11H14ClNO2S/c1-2-8-7-15-5-4-13(8)11(14)10-9(12)3-6-16-10/h3,6,8H,2,4-5,7H2,1H3/t8-/m0/s1
• InChIKey: UYBIUMXFAQHVEZ-QMMMGPOBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S)-4-(3-chlorothiophene-2-carbonyl)-3-ethylmorpholine
• IUPAC Traditional name: (3S)-4-(3-chlorothiophene-2-carbonyl)-3-ethylmorpholine
• Synonyms: (3S)-4-[(3-chloro-2-thienyl)carbonyl]-3-ethylmorpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5087612
• LogD (pH = 7.4): 2.5087612
• Log P: 2.5087612
• Molar Refractivity: 64.6418 cm^3
• Polarizability: 24.831532 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.4
• LOG S: -3.15
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2