ChemSpider 2D Image | 4-Methyl-N-[(1S,2S,5S)-7-methylene-2-(trimethylsilyl)-8-azabicyclo[3.2.1]oct-8-yl]benzenesulfonamide | C18H28N2O2SSi

4-Methyl-N-[(1S,2S,5S)-7-methylene-2-(trimethylsilyl)-8-azabicyclo[3.2.1]oct-8-yl]benzenesulfonamide

  • Molecular FormulaC18H28N2O2SSi
  • Average mass364.578 Da
  • Monoisotopic mass364.164063 Da
  • ChemSpider ID21198808

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

4-Methyl-N-[(1S,2S,5S)-7-methylen-2-(trimethylsilyl)-8-azabicyclo[3.2.1]oct-8-yl]benzolsulfonamid [German] [ACD/IUPAC Name]
4-Methyl-N-[(1S,2S,5S)-7-methylene-2-(trimethylsilyl)-8-azabicyclo[3.2.1]oct-8-yl]benzenesulfonamide [ACD/IUPAC Name]
4-Méthyl-N-[(1S,2S,5S)-7-méthylène-2-(triméthylsilyl)-8-azabicyclo[3.2.1]oct-8-yl]benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 4-methyl-N-[(1S,2S,5S)-7-methylene-2-(trimethylsilyl)-8-azabicyclo[3.2.1]oct-8-yl]- [ACD/Index Name]
6-(Methylidene)-8-((p-toluenesulfonato)amino)-4-(trimethylsilyl)-8-azabicyclo(3.2.1)octane

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

Density: 1.2±0.1 g/cm3
Boiling Point: 454.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.4±3.0 kJ/mol
Flash Point: 228.9±31.5 °C
Index of Refraction: 1.567
Molar Refractivity: 102.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.10
ACD/LogD (pH 5.5): 4.12
ACD/BCF (pH 5.5): 798.48
ACD/KOC (pH 5.5): 4159.13
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 785.14
ACD/KOC (pH 7.4): 4089.60
Polar Surface Area: 58 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 41.3±5.0 dyne/cm
Molar Volume: 314.6±5.0 cm3

Click to predict properties on the Chemicalize site


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