N-{3-[(3S)-3-ethylmorpholin-4-yl]-3-oxopropyl}-N-methylmethanesulfonamide

• ChemBase ID: 458496
• Molecular Formular: C11H22N2O4S
• Molecular Mass: 278.36838
• Monoisotopic Mass: 278.13002819
• SMILES: S(=O)(=O)(N(CCC(=O)N1[C@H](COCC1)CC)C)C
• Canonical SMILES: CC[C@H]1COCCN1C(=O)CCN(S(=O)(=O)C)C
• InChI: InChI=1S/C11H22N2O4S/c1-4-10-9-17-8-7-13(10)11(14)5-6-12(2)18(3,15)16/h10H,4-9H2,1-3H3/t10-/m0/s1
• InChIKey: DDJQNYLAQFQPLB-JTQLQIEISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-[(3S)-3-ethylmorpholin-4-yl]-3-oxopropyl}-N-methylmethanesulfonamide
• IUPAC Traditional name: N-{3-[(3S)-3-ethylmorpholin-4-yl]-3-oxopropyl}-N-methylmethanesulfonamide
• Synonyms: N-{3-[(3S)-3-ethylmorpholin-4-yl]-3-oxopropyl}-N-methylmethanesulfonamide (non-preferred name)

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.0118951
• LogD (pH = 7.4): -1.0118948
• Log P: -1.0118948
• Molar Refractivity: 68.2772 cm^3
• Polarizability: 27.570126 Å^3
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.62
• LOG S: -1.76
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 4