ChemSpider 2D Image | Methyl (1R,5S,6r)-6-({4-[(methylsulfonyl)amino]-1-piperidinyl}methyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate | C14H25N3O4S

Methyl (1R,5S,6r)-6-({4-[(methylsulfonyl)amino]-1-piperidinyl}methyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate

  • Molecular FormulaC14H25N3O4S
  • Average mass331.431 Da
  • Monoisotopic mass331.156586 Da
  • ChemSpider ID29531109

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,5S,6r)-6-({4-[(Méthylsulfonyl)amino]-1-pipéridinyl}méthyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
3-Azabicyclo[3.1.0]hexane-3-carboxylic acid, 6-[[4-[(methylsulfonyl)amino]-1-piperidinyl]methyl]-, methyl ester, (1R,5S)- [ACD/Index Name]
Methyl (1R,5S,6r)-6-({4-[(methylsulfonyl)amino]-1-piperidinyl}methyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate [ACD/IUPAC Name]
Methyl-(1R,5S,6r)-6-({4-[(methylsulfonyl)amino]-1-piperidinyl}methyl)-3-azabicyclo[3.1.0]hexan-3-carboxylat [German] [ACD/IUPAC Name]
methyl (1R*,5S*,6r)-6-({4-[(methylsulfonyl)amino]piperidin-1-yl}methyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 462.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 233.7±31.5 °C
Index of Refraction: 1.579
Molar Refractivity: 82.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.69
ACD/LogD (pH 5.5): -2.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.27
Polar Surface Area: 87 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 55.7±5.0 dyne/cm
Molar Volume: 249.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement