ChemSpider 2D Image | 1-(3-Methylphenyl)-N-[2-(tetrahydro-2H-pyran-4-ylsulfanyl)ethyl]methanesulfonamide | C15H23NO3S2

1-(3-Methylphenyl)-N-[2-(tetrahydro-2H-pyran-4-ylsulfanyl)ethyl]methanesulfonamide

  • Molecular FormulaC15H23NO3S2
  • Average mass329.478 Da
  • Monoisotopic mass329.111938 Da
  • ChemSpider ID32691891

More details:

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

1-(3-Methylphenyl)-N-[2-(tetrahydro-2H-pyran-4-ylsulfanyl)ethyl]methanesulfonamide [ACD/IUPAC Name]
1-(3-Méthylphényl)-N-[2-(tétrahydro-2H-pyran-4-ylsulfanyl)éthyl]méthanesulfonamide [French] [ACD/IUPAC Name]
1-(3-Methylphenyl)-N-[2-(tetrahydro-2H-pyran-4-ylsulfanyl)ethyl]methansulfonamid [German] [ACD/IUPAC Name]
Benzenemethanesulfonamide, 3-methyl-N-[2-[(tetrahydro-2H-pyran-4-yl)thio]ethyl]- [ACD/Index Name]
1-(3-methylphenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]methanesulfonamide
2034305-56-9 [RN]
N-(2-((tetrahydro-2H-pyran-4-yl)thio)ethyl)-1-(m-tolyl)methanesulfonamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 507.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 260.6±32.9 °C
Index of Refraction: 1.579
Molar Refractivity: 88.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 49.74
ACD/KOC (pH 5.5): 570.30
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 49.67
ACD/KOC (pH 7.4): 569.50
Polar Surface Area: 89 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 266.5±5.0 cm3

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