ChemSpider 2D Image | {3-[(1,1-Dioxidotetrahydro-3-thiophenyl)sulfonyl]phenyl}(1-piperidinyl)methanone | C16H21NO5S2

{3-[(1,1-Dioxidotetrahydro-3-thiophenyl)sulfonyl]phenyl}(1-piperidinyl)methanone

  • Molecular FormulaC16H21NO5S2
  • Average mass371.472 Da
  • Monoisotopic mass371.086121 Da
  • ChemSpider ID23493144

More details:

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

{3-[(1,1-Dioxidotetrahydro-3-thiophenyl)sulfonyl]phenyl}(1-piperidinyl)methanon [German] [ACD/IUPAC Name]
{3-[(1,1-Dioxidotetrahydro-3-thiophenyl)sulfonyl]phenyl}(1-piperidinyl)methanone [ACD/IUPAC Name]
{3-[(1,1-Dioxydotétrahydro-3-thiophényl)sulfonyl]phényl}(1-pipéridinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, 1-piperidinyl[3-[(tetrahydro-1,1-dioxido-3-thienyl)sulfonyl]phenyl]- [ACD/Index Name]
[3-(1,1-Dioxo-tetrahydro-1λ*6*-thiophene-3-sulfonyl)-phenyl]-piperidin-1-yl-methanone
[3-(1,1-dioxothiolan-3-yl)sulfonylphenyl]-piperidin-1-ylmethanone
{3-[(1,1-dioxidotetrahydrothiophen-3-yl)sulfonyl]phenyl}(piperidin-1-yl)methanone
1011944-98-1 [RN]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 690.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 101.2±3.0 kJ/mol
    Flash Point: 371.5±31.5 °C
    Index of Refraction: 1.592
    Molar Refractivity: 90.6±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.73
    ACD/LogD (pH 5.5): -0.19
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 18.65
    ACD/LogD (pH 7.4): -0.19
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 18.65
    Polar Surface Area: 105 Å2
    Polarizability: 35.9±0.5 10-24cm3
    Surface Tension: 56.1±3.0 dyne/cm
    Molar Volume: 267.6±3.0 cm3

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