ChemSpider 2D Image | N-({(3R,4R)-3,4-Dihydroxy-1-[(1-methyl-1H-pyrazol-5-yl)carbonyl]-4-piperidinyl}methyl)methanesulfonamide | C12H20N4O5S

N-({(3R,4R)-3,4-Dihydroxy-1-[(1-methyl-1H-pyrazol-5-yl)carbonyl]-4-piperidinyl}methyl)methanesulfonamide

  • Molecular FormulaC12H20N4O5S
  • Average mass332.376 Da
  • Monoisotopic mass332.115448 Da
  • ChemSpider ID68386333

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Methanesulfonamide, N-[[(3R,4R)-3,4-dihydroxy-1-[(1-methyl-1H-pyrazol-5-yl)carbonyl]-4-piperidinyl]methyl]- [ACD/Index Name]
N-({(3R,4R)-3,4-Dihydroxy-1-[(1-methyl-1H-pyrazol-5-yl)carbonyl]-4-piperidinyl}methyl)methanesulfonamide [ACD/IUPAC Name]
N-({(3R,4R)-3,4-Dihydroxy-1-[(1-méthyl-1H-pyrazol-5-yl)carbonyl]-4-pipéridinyl}méthyl)méthanesulfonamide [French] [ACD/IUPAC Name]
N-({(3R,4R)-3,4-Dihydroxy-1-[(1-methyl-1H-pyrazol-5-yl)carbonyl]-4-piperidinyl}methyl)methansulfonamid [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 571.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 299.5±32.9 °C
Index of Refraction: 1.656
Molar Refractivity: 79.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -3.56
ACD/LogD (pH 5.5): -2.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.36
ACD/LogD (pH 7.4): -2.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.36
Polar Surface Area: 133 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 65.7±7.0 dyne/cm
Molar Volume: 215.6±7.0 cm3

Click to predict properties on the Chemicalize site


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