8-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]-2-thia-8-azaspiro[3.5]nonane

C19H25F3N2S — CID 168907245

IUPAC8-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]-2-thia-8-azaspiro[3.5]nonane
SMILESFC(F)(F)c1cc(C2CCC(N3CCCC4(CSC4)C3)CC2)ccn1
InChIInChI=1S/C19H25F3N2S/c20-19(21,22)17-10-15(6-8-23-17)14-2-4-16(5-3-14)24-9-1-7-18(11-24)12-25-13-18/h6,8,10,14,16H,1-5,7,9,11-13H2
InChIKeyQGSYZUBXRGEHAU-UHFFFAOYSA-N
MW370.48 g/mol
LogP4.96
Rot. Bonds2

About 8-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]-2-thia-8-azaspiro[3.5]nonane

8-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]-2-thia-8-azaspiro[3.5]nonane (PubChem CID 168907245) has the molecular formula C19H25F3N2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 8-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]-2-thia-8-azaspiro[3.5]nonane.

Molecular Properties

Compound Name8-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]-2-thia-8-azaspiro[3.5]nonane
PubChem CID168907245
Molecular FormulaC19H25F3N2S
Molecular Weight370.48 g/mol
Exact Mass370.17
IUPAC Name8-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]-2-thia-8-azaspiro[3.5]nonane
SMILESFC(F)(F)c1cc(C2CCC(N3CCCC4(CSC4)C3)CC2)ccn1
InChIInChI=1S/C19H25F3N2S/c20-19(21,22)17-10-15(6-8-23-17)14-2-4-16(5-3-14)24-9-1-7-18(11-24)12-25-13-18/h6,8,10,14,16H,1-5,7,9,11-13H2
InChIKeyQGSYZUBXRGEHAU-UHFFFAOYSA-N
XLogP4.96
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopropyl-2-(trifluoromethyl)pyridine
CID 143990430
7-[4-[2-(trifluoromethyl)pyrimidin-4-yl]cyclohexyl]-2-thia-7-azaspiro[3.4]octane
CID 168907178
7-[4-[3-chloro-2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]-2-thia-7-azaspiro[3.4]octane
CID 168907261
7-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexyl]-2-thia-7-azaspiro[3.4]octane
CID 168907336
ethane;propane;7-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-2-thia-7-azaspiro[3.4]octane
CID 168907006
7-cyclohexyl-2-thia-7-azaspiro[3.4]octane;1-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 168906945
(5R)-7-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexyl]-2-thia-7-azaspiro[4.4]nonane
CID 168907043
7-[4-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
CID 168907149
7-[4-[2-(trifluoromethyl)pyrimidin-5-yl]cyclohexyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
CID 168907238
3-methyl-8-[2-(trifluoromethyl)-4-pyridinyl]-8-azaspiro[4.5]decane
CID 91080290
7-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
CID 168907187
7-[4-[5-(trifluoromethyl)-3-pyridinyl]cyclohexyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
CID 168907035

Frequently Asked Questions

What is the IUPAC name of 8-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]-2-thia-8-azaspiro[3.5]nonane?
The IUPAC name of 8-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]-2-thia-8-azaspiro[3.5]nonane (CID 168907245) is 8-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]-2-thia-8-azaspiro[3.5]nonane.
What is the SMILES notation for 8-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]-2-thia-8-azaspiro[3.5]nonane?
The canonical SMILES for 8-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]-2-thia-8-azaspiro[3.5]nonane is FC(F)(F)c1cc(C2CCC(N3CCCC4(CSC4)C3)CC2)ccn1.
What is the InChIKey of 8-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]-2-thia-8-azaspiro[3.5]nonane?
The InChIKey is QGSYZUBXRGEHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2S/c20-19(21,22)17-10-15(6-8-23-17)14-2-4-16(5-3-14)24-9-1-7-18(11-24)12-25-13-18/h6,8,10,14,16H,1-5,7,9,11-13H2.
What are the key properties of 8-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]-2-thia-8-azaspiro[3.5]nonane?
8-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]-2-thia-8-azaspiro[3.5]nonane has a molecular weight of 370.48 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]-2-thia-8-azaspiro[3.5]nonane is sourced from PubChem (CID 168907245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).