ChemSpider 2D Image | N-[(2R,11bS)-1,3,4,6,7,11b-Hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl]-N-methylmethanesulfonamide | C15H22N2O2S

N-[(2R,11bS)-1,3,4,6,7,11b-Hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl]-N-methylmethanesulfonamide

  • Molecular FormulaC15H22N2O2S
  • Average mass294.412 Da
  • Monoisotopic mass294.140198 Da
  • ChemSpider ID23128418

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Methanesulfonamide, N-[(2R,11bS)-1,3,4,6,7,11b-hexahydro-2H-benzo[a]quinolizin-2-yl]-N-methyl- [ACD/Index Name]
N-[(2R,11bS)-1,3,4,6,7,11b-Hexahydro-2H-pyrido[2,1-a]isochinolin-2-yl]-N-methylmethansulfonamid [German] [ACD/IUPAC Name]
N-[(2R,11bS)-1,3,4,6,7,11b-Hexahydro-2H-pyrido[2,1-a]isoquinoléin-2-yl]-N-méthylméthanesulfonamide [French] [ACD/IUPAC Name]
N-[(2R,11bS)-1,3,4,6,7,11b-Hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl]-N-methylmethanesulfonamide [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL442104/
N-(1,3,4,6,7,11b-Hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl)-N-methyl-methanesulfonamide
N-[(2S,4R)-7-azatricyclo[8.4.0.02,7]tetradeca-1(14),10,12-trien-4-yl]-N-methylmethanesulfonamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 431.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.7±3.0 kJ/mol
Flash Point: 214.5±31.5 °C
Index of Refraction: 1.609
Molar Refractivity: 80.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.63
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 10.86
ACD/KOC (pH 7.4): 131.51
Polar Surface Area: 49 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 233.5±5.0 cm3

Click to predict properties on the Chemicalize site


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