ChemSpider 2D Image | N-[(1S,5R)-3,5-Dimethyl-8-azabicyclo[3.2.1]oct-2-en-8-yl]-4-methylbenzenesulfonamide | C16H22N2O2S

N-[(1S,5R)-3,5-Dimethyl-8-azabicyclo[3.2.1]oct-2-en-8-yl]-4-methylbenzenesulfonamide

  • Molecular FormulaC16H22N2O2S
  • Average mass306.423 Da
  • Monoisotopic mass306.140198 Da
  • ChemSpider ID21198810

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzenesulfonamide, N-[(1S,5R)-3,5-dimethyl-8-azabicyclo[3.2.1]oct-2-en-8-yl]-4-methyl- [ACD/Index Name]
N-[(1S,5R)-3,5-Dimethyl-8-azabicyclo[3.2.1]oct-2-en-8-yl]-4-methylbenzenesulfonamide [ACD/IUPAC Name]
N-[(1S,5R)-3,5-Diméthyl-8-azabicyclo[3.2.1]oct-2-én-8-yl]-4-méthylbenzènesulfonamide [French] [ACD/IUPAC Name]
N-[(1S,5R)-3,5-Dimethyl-8-azabicyclo[3.2.1]oct-2-en-8-yl]-4-methylbenzolsulfonamid [German] [ACD/IUPAC Name]
3,5-Dimethyl-8-((p-toluenesulfonato)amino)-8-azabicyclo(3.2.1)oct-2-ene

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

Density: 1.3±0.1 g/cm3
Boiling Point: 424.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.9±3.0 kJ/mol
Flash Point: 210.6±31.5 °C
Index of Refraction: 1.614
Molar Refractivity: 85.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 113.85
ACD/KOC (pH 5.5): 1031.53
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 111.62
ACD/KOC (pH 7.4): 1011.32
Polar Surface Area: 58 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 243.9±5.0 cm3

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