ChemSpider 2D Image | N'-[(3R,4R)-3-Hydroxy-1-(5-methoxy-2-pyrimidinyl)-4-piperidinyl]-N,N-dimethylsulfuric diamide | C12H21N5O4S

N'-[(3R,4R)-3-Hydroxy-1-(5-methoxy-2-pyrimidinyl)-4-piperidinyl]-N,N-dimethylsulfuric diamide

  • Molecular FormulaC12H21N5O4S
  • Average mass331.391 Da
  • Monoisotopic mass331.131439 Da
  • ChemSpider ID57639407

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Diamide N'-[(3R,4R)-3-hydroxy-1-(5-méthoxy-2-pyrimidinyl)-4-pipéridinyl]-N,N-diméthylsulfurique [French] [ACD/IUPAC Name]
N'-[(3R,4R)-3-Hydroxy-1-(5-methoxy-2-pyrimidinyl)-4-piperidinyl]-N,N-dimethylschwefeldiamid [German] [ACD/IUPAC Name]
N'-[(3R,4R)-3-Hydroxy-1-(5-methoxy-2-pyrimidinyl)-4-piperidinyl]-N,N-dimethylsulfuric diamide [ACD/IUPAC Name]
Sulfamide, N'-[(3R,4R)-3-hydroxy-1-(5-methoxy-2-pyrimidinyl)-4-piperidinyl]-N,N-dimethyl- [ACD/Index Name]
N'-[(3R*,4R*)-3-hydroxy-1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-N,N-dimethylsulfamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 543.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.5±3.0 kJ/mol
Flash Point: 282.6±32.9 °C
Index of Refraction: 1.610
Molar Refractivity: 80.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.47
ACD/LogD (pH 5.5): -0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.47
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.74
Polar Surface Area: 116 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 71.7±5.0 dyne/cm
Molar Volume: 232.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement