ChemSpider 2D Image | 1-(4-{[(2R)-2-Methyl-1-piperidinyl]sulfonyl}phenyl)-1,3-dihydro-2H-pyrrol-2-one | C16H20N2O3S

1-(4-{[(2R)-2-Methyl-1-piperidinyl]sulfonyl}phenyl)-1,3-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC16H20N2O3S
  • Average mass320.407 Da
  • Monoisotopic mass320.119476 Da
  • ChemSpider ID35033523

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-(4-{[(2R)-2-Methyl-1-piperidinyl]sulfonyl}phenyl)-1,3-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
1-(4-{[(2R)-2-Methyl-1-piperidinyl]sulfonyl}phenyl)-1,3-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
1-(4-{[(2R)-2-Méthyl-1-pipéridinyl]sulfonyl}phényl)-1,3-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
1-(4-{[(2r)-2-Methylpiperidin-1-Yl]sulfonyl}phenyl)-1,3-Dihydro-2h-Pyrrol-2-One
2H-Pyrrol-2-one, 1,3-dihydro-1-[4-[[(2R)-2-methyl-1-piperidinyl]sulfonyl]phenyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 509.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 261.8±32.9 °C
Index of Refraction: 1.603
Molar Refractivity: 85.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 17.83
ACD/KOC (pH 5.5): 273.69
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 17.83
ACD/KOC (pH 7.4): 273.69
Polar Surface Area: 66 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 249.1±3.0 cm3

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