ChemSpider 2D Image | 2-{(2S)-1-[(4-Isopropylphenyl)sulfonyl]-2-piperidinyl}-N-[(1R)-6-{[(2-methyl-2-propanyl)amino]methyl}-1,2,3,4-tetrahydro-1-naphthalenyl]acetamide | C31H45N3O3S

2-{(2S)-1-[(4-Isopropylphenyl)sulfonyl]-2-piperidinyl}-N-[(1R)-6-{[(2-methyl-2-propanyl)amino]methyl}-1,2,3,4-tetrahydro-1-naphthalenyl]acetamide

  • Molecular FormulaC31H45N3O3S
  • Average mass539.772 Da
  • Monoisotopic mass539.318176 Da
  • ChemSpider ID9562046

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-{(2S)-1-[(4-Isopropylphényl)sulfonyl]-2-pipéridinyl}-N-[(1R)-6-{[(2-méthyl-2-propanyl)amino]méthyl}-1,2,3,4-tétrahydro-1-naphtalényl]acétamide [French] [ACD/IUPAC Name]
2-{(2S)-1-[(4-Isopropylphenyl)sulfonyl]-2-piperidinyl}-N-[(1R)-6-{[(2-methyl-2-propanyl)amino]methyl}-1,2,3,4-tetrahydro-1-naphthalenyl]acetamide [ACD/IUPAC Name]
2-{(2S)-1-[(4-Isopropylphenyl)sulfonyl]-2-piperidinyl}-N-[(1R)-6-{[(2-methyl-2-propanyl)amino]methyl}-1,2,3,4-tetrahydro-1-naphthalinyl]acetamid [German] [ACD/IUPAC Name]
2-Piperidineacetamide, N-[(1R)-6-[[(1,1-dimethylethyl)amino]methyl]-1,2,3,4-tetrahydro-1-naphthalenyl]-1-[[4-(1-methylethyl)phenyl]sulfonyl]-, (2S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.592
Molar Refractivity: 155.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.60
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 23.07
ACD/KOC (pH 5.5): 43.76
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 92.80
ACD/KOC (pH 7.4): 176.04
Polar Surface Area: 87 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 459.3±5.0 cm3

Click to predict properties on the Chemicalize site


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