2-(1-cyclohexylsulfonylpiperidin-3-yl)oxy-4-(trifluoromethyl)pyrimidine

C16H22F3N3O3S — CID 122267856

IUPAC2-(1-cyclohexylsulfonylpiperidin-3-yl)oxy-4-(trifluoromethyl)pyrimidine
SMILESO=S(=O)(C1CCCCC1)N1CCCC(Oc2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C16H22F3N3O3S/c17-16(18,19)14-8-9-20-15(21-14)25-12-5-4-10-22(11-12)26(23,24)13-6-2-1-3-7-13/h8-9,12-13H,1-7,10-11H2
InChIKeyZXGVCRLXXZPDOL-UHFFFAOYSA-N
MW393.43 g/mol
LogP3.00
Rot. Bonds4

About 2-(1-cyclohexylsulfonylpiperidin-3-yl)oxy-4-(trifluoromethyl)pyrimidine

2-(1-cyclohexylsulfonylpiperidin-3-yl)oxy-4-(trifluoromethyl)pyrimidine (PubChem CID 122267856) has the molecular formula C16H22F3N3O3S and a molecular weight of 393.43 g/mol. Its IUPAC name is 2-(1-cyclohexylsulfonylpiperidin-3-yl)oxy-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(1-cyclohexylsulfonylpiperidin-3-yl)oxy-4-(trifluoromethyl)pyrimidine
PubChem CID122267856
Molecular FormulaC16H22F3N3O3S
Molecular Weight393.43 g/mol
Exact Mass393.13
IUPAC Name2-(1-cyclohexylsulfonylpiperidin-3-yl)oxy-4-(trifluoromethyl)pyrimidine
SMILESO=S(=O)(C1CCCCC1)N1CCCC(Oc2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C16H22F3N3O3S/c17-16(18,19)14-8-9-20-15(21-14)25-12-5-4-10-22(11-12)26(23,24)13-6-2-1-3-7-13/h8-9,12-13H,1-7,10-11H2
InChIKeyZXGVCRLXXZPDOL-UHFFFAOYSA-N
XLogP3.00
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylsulfonylpiperidin-3-yl)oxy-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(1-cyclohexylsulfonylpiperidin-3-yl)oxy-4-(trifluoromethyl)pyrimidine (CID 122267856) is 2-(1-cyclohexylsulfonylpiperidin-3-yl)oxy-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(1-cyclohexylsulfonylpiperidin-3-yl)oxy-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(1-cyclohexylsulfonylpiperidin-3-yl)oxy-4-(trifluoromethyl)pyrimidine is O=S(=O)(C1CCCCC1)N1CCCC(Oc2nccc(C(F)(F)F)n2)C1.
What is the InChIKey of 2-(1-cyclohexylsulfonylpiperidin-3-yl)oxy-4-(trifluoromethyl)pyrimidine?
The InChIKey is ZXGVCRLXXZPDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O3S/c17-16(18,19)14-8-9-20-15(21-14)25-12-5-4-10-22(11-12)26(23,24)13-6-2-1-3-7-13/h8-9,12-13H,1-7,10-11H2.
What are the key properties of 2-(1-cyclohexylsulfonylpiperidin-3-yl)oxy-4-(trifluoromethyl)pyrimidine?
2-(1-cyclohexylsulfonylpiperidin-3-yl)oxy-4-(trifluoromethyl)pyrimidine has a molecular weight of 393.43 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylsulfonylpiperidin-3-yl)oxy-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 122267856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).