ChemSpider 2D Image | 1-[(1S,2S,5R)-1-Hydroxy-2-isopropyl-5-methylcyclohexyl]-N,N-dimethylmethanesulfonamide | C13H27NO3S

1-[(1S,2S,5R)-1-Hydroxy-2-isopropyl-5-methylcyclohexyl]-N,N-dimethylmethanesulfonamide

  • Molecular FormulaC13H27NO3S
  • Average mass277.423 Da
  • Monoisotopic mass277.171173 Da
  • ChemSpider ID24727897

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-[(1S,2S,5R)-1-Hydroxy-2-isopropyl-5-methylcyclohexyl]-N,N-dimethylmethanesulfonamide [ACD/IUPAC Name]
1-[(1S,2S,5R)-1-Hydroxy-2-isopropyl-5-méthylcyclohexyl]-N,N-diméthylméthanesulfonamide [French] [ACD/IUPAC Name]
1-[(1S,2S,5R)-1-Hydroxy-2-isopropyl-5-methylcyclohexyl]-N,N-dimethylmethansulfonamid [German] [ACD/IUPAC Name]
Cyclohexanemethanesulfonamide, 1-hydroxy-N,N,5-trimethyl-2-(1-methylethyl)-, (1S,2S,5R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 380.0±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 72.7±6.0 kJ/mol
Flash Point: 183.6±25.7 °C
Index of Refraction: 1.492
Molar Refractivity: 74.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 37.51
ACD/KOC (pH 5.5): 466.01
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 37.51
ACD/KOC (pH 7.4): 466.01
Polar Surface Area: 66 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 256.3±3.0 cm3

Click to predict properties on the Chemicalize site


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