ChemSpider 2D Image | N-[(2S)-5-[(Diaminomethyl)amino]-1-(4-methyl-1-piperidinyl)-1-oxo-2-pentanyl]-3-methyl-1,2,3,4-tetrahydro-8-quinolinesulfonamide | C22H38N6O3S

N-[(2S)-5-[(Diaminomethyl)amino]-1-(4-methyl-1-piperidinyl)-1-oxo-2-pentanyl]-3-methyl-1,2,3,4-tetrahydro-8-quinolinesulfonamide

  • Molecular FormulaC22H38N6O3S
  • Average mass466.641 Da
  • Monoisotopic mass466.272614 Da
  • ChemSpider ID23134870

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

8-Quinolinesulfonamide, N-[(1S)-4-[(diaminomethyl)amino]-1-[(4-methyl-1-piperidinyl)carbonyl]butyl]-1,2,3,4-tetrahydro-3-methyl- [ACD/Index Name]
N-[(2S)-5-[(Diaminomethyl)amino]-1-(4-methyl-1-piperidinyl)-1-oxo-2-pentanyl]-3-methyl-1,2,3,4-tetrahydro-8-chinolinsulfonamid [German] [ACD/IUPAC Name]
N-[(2S)-5-[(Diaminométhyl)amino]-1-(4-méthyl-1-pipéridinyl)-1-oxo-2-pentanyl]-3-méthyl-1,2,3,4-tétrahydro-8-quinoléinesulfonamide [French] [ACD/IUPAC Name]
N-[(2S)-5-[(Diaminomethyl)amino]-1-(4-methyl-1-piperidinyl)-1-oxo-2-pentanyl]-3-methyl-1,2,3,4-tetrahydro-8-quinolinesulfonamide [ACD/IUPAC Name]
N-[(2S)-5-[(diaminomethyl)amino]-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide
3-Methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonic acid [(S)-4-(diaminomethyl-amino)-1-(4-methyl-piperidine-1-carbonyl)-butyl]-amide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 687.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 369.5±34.3 °C
Index of Refraction: 1.569
Molar Refractivity: 127.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.42
ACD/LogD (pH 5.5): -1.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 151 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 389.5±3.0 cm3

Click to predict properties on the Chemicalize site


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