ChemSpider 2D Image | TERT-BUTYL 4-({[4-(BUT-2-YN-1-YLAMINO)PHENYL]SULFONYL}METHYL)-4-[(HYDROXYAMINO)CARBONYL]PIPERIDINE-1-CARBOXYLATE | C22H31N3O6S

TERT-BUTYL 4-({[4-(BUT-2-YN-1-YLAMINO)PHENYL]SULFONYL}METHYL)-4-[(HYDROXYAMINO)CARBONYL]PIPERIDINE-1-CARBOXYLATE

  • Molecular FormulaC22H31N3O6S
  • Average mass465.563 Da
  • Monoisotopic mass465.193359 Da
  • ChemSpider ID22376244

More details:






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

1-Piperidinecarboxylic acid, 4-[[[4-(2-butyn-1-ylamino)phenyl]sulfonyl]methyl]-4-[(hydroxyamino)carbonyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-({[4-(2-butyn-1-ylamino)phenyl]sulfonyl}methyl)-4-(hydroxycarbamoyl)-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-({[4-(2-butin-1-ylamino)phenyl]sulfonyl}methyl)-4-(hydroxycarbamoyl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-({[4-(2-Butyn-1-ylamino)phényl]sulfonyl}méthyl)-4-(hydroxycarbamoyl)-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
TERT-BUTYL 4-({[4-(BUT-2-YN-1-YLAMINO)PHENYL]SULFONYL}METHYL)-4-[(HYDROXYAMINO)CARBONYL]PIPERIDINE-1-CARBOXYLATE
347
tert-butyl 4-({4-[(but-2-yn-1-yl)amino]benzenesulfonyl}methyl)-4-(hydroxycarbamoyl)piperidine-1-carboxylate
tert-butyl 4-[({4-[(but-2-yn-1-yl)amino]benzene}sulfonyl)methyl]-4-(hydroxycarbamoyl)piperidine-1-carboxylate
tert-butyl 4-{[4-(but-2-yn-1-ylamino)benzenesulfonyl]methyl}-4-(hydroxycarbamoyl)piperidine-1-carboxylate
β-sulfonyl hydroxamate analogue, 7

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.576
Molar Refractivity: 120.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.21
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 8.15
ACD/KOC (pH 5.5): 156.21
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 8.06
ACD/KOC (pH 7.4): 154.53
Polar Surface Area: 133 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 363.7±3.0 cm3

Click to predict properties on the Chemicalize site






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