7-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclohexyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide

C19H24F4N2O2S — CID 168906941

IUPAC7-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclohexyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
SMILESO=S1(=O)CC2(CCN(C3CCC(c4ncc(C(F)(F)F)cc4F)CC3)CC2)C1
InChIInChI=1S/C19H24F4N2O2S/c20-16-9-14(19(21,22)23)10-24-17(16)13-1-3-15(4-2-13)25-7-5-18(6-8-25)11-28(26,27)12-18/h9-10,13,15H,1-8,11-12H2
InChIKeyLFEHBBGGFJUULG-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.78
Rot. Bonds2

About 7-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclohexyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide

7-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclohexyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide (PubChem CID 168906941) has the molecular formula C19H24F4N2O2S and a molecular weight of 420.47 g/mol. Its IUPAC name is 7-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclohexyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide.

Molecular Properties

Compound Name7-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclohexyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
PubChem CID168906941
Molecular FormulaC19H24F4N2O2S
Molecular Weight420.47 g/mol
Exact Mass420.15
IUPAC Name7-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclohexyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
SMILESO=S1(=O)CC2(CCN(C3CCC(c4ncc(C(F)(F)F)cc4F)CC3)CC2)C1
InChIInChI=1S/C19H24F4N2O2S/c20-16-9-14(19(21,22)23)10-24-17(16)13-1-3-15(4-2-13)25-7-5-18(6-8-25)11-28(26,27)12-18/h9-10,13,15H,1-8,11-12H2
InChIKeyLFEHBBGGFJUULG-UHFFFAOYSA-N
XLogP3.78
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclohexyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
The IUPAC name of 7-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclohexyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide (CID 168906941) is 7-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclohexyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide.
What is the SMILES notation for 7-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclohexyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
The canonical SMILES for 7-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclohexyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide is O=S1(=O)CC2(CCN(C3CCC(c4ncc(C(F)(F)F)cc4F)CC3)CC2)C1.
What is the InChIKey of 7-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclohexyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
The InChIKey is LFEHBBGGFJUULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F4N2O2S/c20-16-9-14(19(21,22)23)10-24-17(16)13-1-3-15(4-2-13)25-7-5-18(6-8-25)11-28(26,27)12-18/h9-10,13,15H,1-8,11-12H2.
What are the key properties of 7-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclohexyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
7-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclohexyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide has a molecular weight of 420.47 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclohexyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide is sourced from PubChem (CID 168906941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).