ChemSpider 2D Image | 2-[4-({2-[(Methylsulfonyl)amino]ethyl}carbamoyl)-1-piperazinyl]propanoic acid | C11H22N4O5S

2-[4-({2-[(Methylsulfonyl)amino]ethyl}carbamoyl)-1-piperazinyl]propanoic acid

  • Molecular FormulaC11H22N4O5S
  • Average mass322.381 Da
  • Monoisotopic mass322.131104 Da
  • ChemSpider ID39795632

More details:

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

1-Piperazineacetic acid, α-methyl-4-[[[2-[(methylsulfonyl)amino]ethyl]amino]carbonyl]- [ACD/Index Name]
2-[4-({2-[(Methylsulfonyl)amino]ethyl}carbamoyl)-1-piperazinyl]propanoic acid [ACD/IUPAC Name]
2-[4-({2-[(Methylsulfonyl)amino]ethyl}carbamoyl)-1-piperazinyl]propansäure [German] [ACD/IUPAC Name]
Acide 2-[4-({2-[(méthylsulfonyl)amino]éthyl}carbamoyl)-1-pipérazinyl]propanoïque [French] [ACD/IUPAC 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: 1.556
Molar Refractivity: 76.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.85
ACD/LogD (pH 5.5): -3.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 57.2±3.0 dyne/cm
Molar Volume: 238.2±3.0 cm3

Click to predict properties on the Chemicalize site


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