ChemSpider 2D Image | N-{(2S)-5-[(Diaminomethylene)amino]-1-[4-(2-methyl-2-propanyl)-1-piperidinyl]-1-oxo-2-pentanyl}-5-(dimethylamino)-1-naphthalenesulfonamide | C27H42N6O3S

N-{(2S)-5-[(Diaminomethylene)amino]-1-[4-(2-methyl-2-propanyl)-1-piperidinyl]-1-oxo-2-pentanyl}-5-(dimethylamino)-1-naphthalenesulfonamide

  • Molecular FormulaC27H42N6O3S
  • Average mass530.726 Da
  • Monoisotopic mass530.303894 Da
  • ChemSpider ID151265

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Naphthalenesulfonamide, N-[(1S)-4-[(diaminomethylene)amino]-1-[[4-(1,1-dimethylethyl)-1-piperidinyl]carbonyl]butyl]-5-(dimethylamino)- [ACD/Index Name]
N-{(2S)-5-[(Diaminomethylen)amino]-1-[4-(2-methyl-2-propanyl)-1-piperidinyl]-1-oxo-2-pentanyl}-5-(dimethylamino)-1-naphthalinsulfonamid [German] [ACD/IUPAC Name]
N-{(2S)-5-[(Diaminométhylène)amino]-1-[4-(2-méthyl-2-propanyl)-1-pipéridinyl]-1-oxo-2-pentanyl}-5-(diméthylamino)-1-naphtalènesulfonamide [French] [ACD/IUPAC Name]
N-{(2S)-5-[(Diaminomethylene)amino]-1-[4-(2-methyl-2-propanyl)-1-piperidinyl]-1-oxo-2-pentanyl}-5-(dimethylamino)-1-naphthalenesulfonamide [ACD/IUPAC Name]
4-Isopropyl-1-(N(2)-(5,6-dimethylaminonaphthalene)-1-sulfonyl-L-arginyl)piperidine
4-tert-Butyl-1-(N(2)-(5-dimethylaminonaphthalene)-1-sulfonyl-L-arginyl)piperidine
72561-48-9 [RN]
74133-53-2 [RN]
81483-72-9 [RN]
N(2)-Dansyl-L-arginine-4-t-butylpiperidine amide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

No 233 [DBID]
TI 233 [DBID]
TI-233 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 727.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.3±3.0 kJ/mol
Flash Point: 394.0±35.7 °C
Index of Refraction: 1.612
Molar Refractivity: 147.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 4.67
ACD/KOC (pH 5.5): 28.24
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 4.73
ACD/KOC (pH 7.4): 28.58
Polar Surface Area: 143 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 48.3±7.0 dyne/cm
Molar Volume: 424.3±7.0 cm3

Click to predict properties on the Chemicalize site


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