ChemSpider 2D Image | (Z)-N-[4-(Aminomethyl)-1,1-dioxidotetrahydro-2H-thiopyran-4-yl]-3-(1-methylcyclopentyl)-N~2~-{1-[(phenylsulfonyl)amino]ethylidene}alaninamide | C23H36N4O5S2

(Z)-N-[4-(Aminomethyl)-1,1-dioxidotetrahydro-2H-thiopyran-4-yl]-3-(1-methylcyclopentyl)-N2-{1-[(phenylsulfonyl)amino]ethylidene}alaninamide

  • Molecular FormulaC23H36N4O5S2
  • Average mass512.686 Da
  • Monoisotopic mass512.212708 Da
  • ChemSpider ID22376737

More details:

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

(Z)-N-[4-(Aminomethyl)-1,1-dioxidotetrahydro-2H-thiopyran-4-yl]-3-(1-methylcyclopentyl)-N2-{1-[(phenylsulfonyl)amino]ethyliden}alaninamid [German] [ACD/IUPAC Name]
(Z)-N-[4-(Aminomethyl)-1,1-dioxidotetrahydro-2H-thiopyran-4-yl]-3-(1-methylcyclopentyl)-N2-{1-[(phenylsulfonyl)amino]ethylidene}alaninamide [ACD/IUPAC Name]
(Z)-N-[4-(Aminométhyl)-1,1-dioxydotétrahydro-2H-thiopyrane-4-yl]-3-(1-méthylcyclopentyl)-N2-{1-[(phénylsulfonyl)amino]éthylidène}alaninamide [French] [ACD/IUPAC Name]
Cyclopentanepropanamide, N-[4-(aminomethyl)tetrahydro-1,1-dioxido-2H-thiopyran-4-yl]-1-methyl-α-[[(1E)-1-[(phenylsulfonyl)imino]ethyl]amino]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.628
Molar Refractivity: 133.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 1.52
ACD/LogD (pH 5.5): -2.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 165 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 56.5±7.0 dyne/cm
Molar Volume: 374.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement