There will be scheduled maintenance work beginning on Wednesday 26th February 2020 from 11:00 AM through to 12.00 PM (GMT).

During this time, you may not be able to log into ChemSpider. We apologise for any inconvenience this might cause and thank you for your patience.

ChemSpider 2D Image | Oclacitinib | C15H23N5O2S


  • Molecular FormulaC15H23N5O2S
  • Average mass337.440 Da
  • Monoisotopic mass337.157257 Da
  • ChemSpider ID28528036
  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Featured data source

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

1208319-26-9 [RN]
Cyclohexanemethanesulfonamide, N-methyl-4-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-, trans- [ACD/Index Name]
N-Methyl-1-{trans-4-[methyl(1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexyl}methanesulfonamide [ACD/IUPAC Name]
N-Méthyl-1-{trans-4-[méthyl(1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexyl}méthanesulfonamide [French] [ACD/IUPAC Name]
N-Methyl-1-{trans-4-[methyl(1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexyl}methansulfonamid [German] [ACD/IUPAC Name]
N-Methyl-1-{trans-4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexyl}methanesulfonamide [ACD/IUPAC Name]
N-Méthyl-1-{trans-4-[méthyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexyl}méthanesulfonamide [French] [ACD/IUPAC Name]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Oclacitinib(PF03394197) is a potent and selective JAKs inhibitor with IC50 of 10-99 nM; not inhibit a panel of 38 non-JAK kinasesC=C1CC[C@@]([C@]2([H])[C@@H](O)C[C@@]34C)([H])[C@]3([H])C[C@]5([H])[C@@ ]4(C(CO)=O)OC(CCC)O5 MedChem Express

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: 1.618
Molar Refractivity: 89.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.46
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 2.31
ACD/KOC (pH 5.5): 35.69
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 16.16
ACD/KOC (pH 7.4): 249.26
Polar Surface Area: 99 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 63.6±3.0 dyne/cm
Molar Volume: 256.2±3.0 cm3

Click to predict properties on the Chemicalize site