ChemSpider 2D Image | N-Cyclopropyl-N~2~-[(1,1-dioxidotetrahydro-3-thiophenyl)carbamoyl]-L-alloisoleucinamide | C14H25N3O4S

N-Cyclopropyl-N2-[(1,1-dioxidotetrahydro-3-thiophenyl)carbamoyl]-L-alloisoleucinamide

  • Molecular FormulaC14H25N3O4S
  • Average mass331.431 Da
  • Monoisotopic mass331.156586 Da
  • ChemSpider ID23492413

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

N-Cyclopropyl-N2-[(1,1-dioxidotetrahydro-3-thiophenyl)carbamoyl]-L-alloisoleucinamid [German] [ACD/IUPAC Name]
N-Cyclopropyl-N2-[(1,1-dioxidotetrahydro-3-thiophenyl)carbamoyl]-L-alloisoleucinamide [ACD/IUPAC Name]
N-Cyclopropyl-N2-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-L-alloisoleucinamide
N-Cyclopropyl-N2-[(1,1-dioxydotétrahydro-3-thiophényl)carbamoyl]-L-alloisoleucinamide [French] [ACD/IUPAC Name]
pentanamide, N-cyclopropyl-3-methyl-2-[[[(tetrahydro-1,1-dioxido-3-thienyl)amino]carbonyl]amino]-, (2S)-
Pentanamide, N-cyclopropyl-3-methyl-2-[[[(tetrahydro-1,1-dioxido-3-thienyl)amino]carbonyl]amino]-, (2S,3R)- [ACD/Index Name]
(2S,3R)-N-cyclopropyl-2-[(1,1-dioxothiolan-3-yl)carbamoylamino]-3-methylpentanamide
1214629-33-0 [RN]
2-[3-(1,1-Dioxo-tetrahydro-1λ*6*-thiophen-3-yl)-ureido]-3-methyl-pentanoic acid cyclopropylamide
N-cyclopropyl-N2-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-L-isoleucinamide

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 679.2±54.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 99.7±3.0 kJ/mol
    Flash Point: 364.6±31.2 °C
    Index of Refraction: 1.547
    Molar Refractivity: 82.7±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: -1.13
    ACD/LogD (pH 5.5): -0.69
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 10.00
    ACD/LogD (pH 7.4): -0.69
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 10.00
    Polar Surface Area: 113 Å2
    Polarizability: 32.8±0.5 10-24cm3
    Surface Tension: 51.3±5.0 dyne/cm
    Molar Volume: 260.9±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement