8-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1-oxa-8-azaspiro[4.5]decane

C14H17F3N2O3S — CID 166281994

IUPAC8-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1-oxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(C(F)(F)F)cn1)N1CCC2(CCCO2)CC1
InChIInChI=1S/C14H17F3N2O3S/c15-14(16,17)11-2-3-12(18-10-11)23(20,21)19-7-5-13(6-8-19)4-1-9-22-13/h2-3,10H,1,4-9H2
InChIKeyALIQYALFCBZQPE-UHFFFAOYSA-N
MW350.36 g/mol
LogP2.43
Rot. Bonds2

About 8-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1-oxa-8-azaspiro[4.5]decane

8-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1-oxa-8-azaspiro[4.5]decane (PubChem CID 166281994) has the molecular formula C14H17F3N2O3S and a molecular weight of 350.36 g/mol. Its IUPAC name is 8-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1-oxa-8-azaspiro[4.5]decane
PubChem CID166281994
Molecular FormulaC14H17F3N2O3S
Molecular Weight350.36 g/mol
Exact Mass350.09
IUPAC Name8-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1-oxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(C(F)(F)F)cn1)N1CCC2(CCCO2)CC1
InChIInChI=1S/C14H17F3N2O3S/c15-14(16,17)11-2-3-12(18-10-11)23(20,21)19-7-5-13(6-8-19)4-1-9-22-13/h2-3,10H,1,4-9H2
InChIKeyALIQYALFCBZQPE-UHFFFAOYSA-N
XLogP2.43
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4,7-dioxazonane
CID 166283904
3-methyl-8-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
CID 167897899
1-[1-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]piperidin-4-yl]pyrrolidin-2-one
CID 167979359
9-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 3516792
7,8-dichloro-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-3,4-dihydro-1H-isoquinoline
CID 166317926
2-[3-(4-fluorophenyl)-3-methylazetidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine
CID 166317932
9-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 3858399
5-(trifluoromethyl)pyridine-2-sulfonic acid;hydrochloride
CID 174615079
4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,2-oxazolidin-4-ol
CID 166282118
1-(4-chloro-1-oxidopyridin-1-ium-2-yl)-1'-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 54577781
2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine
CID 167987064
1-(azepan-1-ylsulfonyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
CID 24592288

Frequently Asked Questions

What is the IUPAC name of 8-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1-oxa-8-azaspiro[4.5]decane (CID 166281994) is 8-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1-oxa-8-azaspiro[4.5]decane is O=S(=O)(c1ccc(C(F)(F)F)cn1)N1CCC2(CCCO2)CC1.
What is the InChIKey of 8-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is ALIQYALFCBZQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3S/c15-14(16,17)11-2-3-12(18-10-11)23(20,21)19-7-5-13(6-8-19)4-1-9-22-13/h2-3,10H,1,4-9H2.
What are the key properties of 8-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1-oxa-8-azaspiro[4.5]decane?
8-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 350.36 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 166281994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).