ChemSpider 2D Image | [3-(Cyclopropylmethyl)-3-(hydroxymethyl)-1-piperidinyl](1,1-dioxidotetrahydro-2H-thiopyran-4-yl)methanone | C16H27NO4S

[3-(Cyclopropylmethyl)-3-(hydroxymethyl)-1-piperidinyl](1,1-dioxidotetrahydro-2H-thiopyran-4-yl)methanone

  • Molecular FormulaC16H27NO4S
  • Average mass329.455 Da
  • Monoisotopic mass329.166077 Da
  • ChemSpider ID29437532

More details:

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

[3-(Cyclopropylmethyl)-3-(hydroxymethyl)-1-piperidinyl](1,1-dioxidotetrahydro-2H-thiopyran-4-yl)methanon [German] [ACD/IUPAC Name]
[3-(Cyclopropylmethyl)-3-(hydroxymethyl)-1-piperidinyl](1,1-dioxidotetrahydro-2H-thiopyran-4-yl)methanone [ACD/IUPAC Name]
[3-(Cyclopropylméthyl)-3-(hydroxyméthyl)-1-pipéridinyl](1,1-dioxydotétrahydro-2H-thiopyrane-4-yl)méthanone [French] [ACD/IUPAC Name]
Methanone, [3-(cyclopropylmethyl)-3-(hydroxymethyl)-1-piperidinyl](tetrahydro-1,1-dioxido-2H-thiopyran-4-yl)- [ACD/Index Name]
{3-(cyclopropylmethyl)-1-[(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)carbonyl]-3-piperidinyl}methanol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 575.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.9±6.0 kJ/mol
Flash Point: 301.6±25.9 °C
Index of Refraction: 1.558
Molar Refractivity: 84.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.18
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 2.21
ACD/KOC (pH 5.5): 61.39
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 2.21
ACD/KOC (pH 7.4): 61.39
Polar Surface Area: 83 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 261.7±3.0 cm3

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