ChemSpider 2D Image | N-Methyl-1-{cis-4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexyl}methanesulfonamide | C15H23N5O2S

N-Methyl-1-{cis-4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexyl}methanesulfonamide

  • Molecular FormulaC15H23N5O2S
  • Average mass337.440 Da
  • Monoisotopic mass337.157257 Da
  • ChemSpider ID113606980

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Cyclohexanemethanesulfonamide, N-methyl-4-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-, cis- [ACD/Index Name]
N-Methyl-1-{cis-4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexyl}methanesulfonamide [ACD/IUPAC Name]
N-Méthyl-1-{cis-4-[méthyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexyl}méthanesulfonamide [French] [ACD/IUPAC Name]
N-Methyl-1-{cis-4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexyl}methansulfonamid [German] [ACD/IUPAC 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: 552.8±53.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 288.1±30.9 °C
Index of Refraction: 1.618
Molar Refractivity: 89.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.46
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 2.31
ACD/KOC (pH 5.5): 35.69
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 16.16
ACD/KOC (pH 7.4): 249.26
Polar Surface Area: 99 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 63.6±3.0 dyne/cm
Molar Volume: 256.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement