ChemSpider 2D Image | N-[4-(Aminomethyl)-1,1-Dioxidotetrahydro-2h-Thiopyran-4-Yl]-3-(1-Methylcyclopentyl)-N~2~-[(1e)-N-(Phenylsulfonyl)ethanimidoyl]-L-Alaninamide | C23H36N4O5S2

N-[4-(Aminomethyl)-1,1-Dioxidotetrahydro-2h-Thiopyran-4-Yl]-3-(1-Methylcyclopentyl)-N2-[(1e)-N-(Phenylsulfonyl)ethanimidoyl]-L-Alaninamide

  • Molecular FormulaC23H36N4O5S2
  • Average mass512.686 Da
  • Monoisotopic mass512.212708 Da
  • ChemSpider ID10015436

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(E)-N-[4-(Aminomethyl)-1,1-dioxidotetrahydro-2H-thiopyran-4-yl]-3-(1-methylcyclopentyl)-N2-{1-[(phenylsulfonyl)amino]ethyliden}-L-alaninamid [German] [ACD/IUPAC Name]
(E)-N-[4-(Aminomethyl)-1,1-dioxidotetrahydro-2H-thiopyran-4-yl]-3-(1-methylcyclopentyl)-N2-{1-[(phenylsulfonyl)amino]ethylidene}-L-alaninamide [ACD/IUPAC Name]
(E)-N-[4-(Aminométhyl)-1,1-dioxydotétrahydro-2H-thiopyrane-4-yl]-3-(1-méthylcyclopentyl)-N2-{1-[(phénylsulfonyl)amino]éthylidène}-L-alaninamide [French] [ACD/IUPAC Name]
Cyclopentanepropanamide, N-[4-(aminomethyl)tetrahydro-1,1-dioxido-2H-thiopyran-4-yl]-1-methyl-α-[[(1E)-1-[(phenylsulfonyl)amino]ethylidene]amino]-, (αS)- [ACD/Index Name]
N-[4-(Aminomethyl)-1,1-Dioxidotetrahydro-2h-Thiopyran-4-Yl]-3-(1-Methylcyclopentyl)-N2-[(1e)-N-(Phenylsulfonyl)ethanimidoyl]-L-Alaninamide

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

C71 [DBID]

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): -1.38
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): 1.00
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


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