ChemSpider 2D Image | (2S)-2-Acetamido-N-methyl-4-[(S)-methylsulfinyl]butanamide | C8H16N2O3S

(2S)-2-Acetamido-N-methyl-4-[(S)-methylsulfinyl]butanamide

  • Molecular FormulaC8H16N2O3S
  • Average mass220.289 Da
  • Monoisotopic mass220.088165 Da
  • ChemSpider ID25059160

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2s)-2-(Acetylamino)-N-Methyl-4-[(S)-Methylsulfinyl]butanamide
(2S)-2-Acetamido-N-methyl-4-[(S)-methylsulfinyl]butanamid [German] [ACD/IUPAC Name]
(2S)-2-Acetamido-N-methyl-4-[(S)-methylsulfinyl]butanamide [ACD/IUPAC Name]
(2S)-2-Acétamido-N-méthyl-4-[(S)-méthylsulfinyl]butanamide [French] [ACD/IUPAC Name]
Butanamide, 2-(acetylamino)-N-methyl-4-[(S)-(1S)-methylsulfinyl]-, (2S)- [ACD/Index Name]
SSM

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 613.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 325.1±30.1 °C
Index of Refraction: 1.517
Molar Refractivity: 55.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -2.14
ACD/LogD (pH 5.5): -1.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.79
ACD/LogD (pH 7.4): -1.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.79
Polar Surface Area: 94 Å2
Polarizability: 21.9±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 182.3±3.0 cm3

Click to predict properties on the Chemicalize site


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