7-[2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide

C15H19F3N2O3S — CID 168907420

IUPAC7-[2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
SMILESO=S1(=O)CC2(CCN(CCOc3ccnc(C(F)(F)F)c3)CC2)C1
InChIInChI=1S/C15H19F3N2O3S/c16-15(17,18)13-9-12(1-4-19-13)23-8-7-20-5-2-14(3-6-20)10-24(21,22)11-14/h1,4,9H,2-3,5-8,10-11H2
InChIKeyCFHIPMZJPRIAQZ-UHFFFAOYSA-N
MW364.39 g/mol
LogP1.99
Rot. Bonds4

About 7-[2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide

7-[2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide (PubChem CID 168907420) has the molecular formula C15H19F3N2O3S and a molecular weight of 364.39 g/mol. Its IUPAC name is 7-[2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide.

Molecular Properties

Compound Name7-[2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
PubChem CID168907420
Molecular FormulaC15H19F3N2O3S
Molecular Weight364.39 g/mol
Exact Mass364.11
IUPAC Name7-[2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
SMILESO=S1(=O)CC2(CCN(CCOc3ccnc(C(F)(F)F)c3)CC2)C1
InChIInChI=1S/C15H19F3N2O3S/c16-15(17,18)13-9-12(1-4-19-13)23-8-7-20-5-2-14(3-6-20)10-24(21,22)11-14/h1,4,9H,2-3,5-8,10-11H2
InChIKeyCFHIPMZJPRIAQZ-UHFFFAOYSA-N
XLogP1.99
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide with MolForge

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Related Compounds

4-[3-[3-[(E)-2-(3-fluoro-2-pyridinyl)ethenyl]sulfonylphenoxy]propyl]morpholine
CID 146380951
3-Methyl-2-(methylsulfinylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine
CID 162700532
[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinylmethanol
CID 168476566
US20240400579, Example 238
CID 168907444
US20240400579, Example 243
CID 168907452
US20240400579, Example 247A
CID 168907459
US20240400579, Example 249
CID 168907462
US20240400579, Example 229
CID 168907483
US20240400579, Example 135
CID 168907500
US20240400579, Example 210
CID 168907520
US20240400579, Example 245A
CID 168907560
US20240400579, Example 207A
CID 168907571

Frequently Asked Questions

What is the IUPAC name of 7-[2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
The IUPAC name of 7-[2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide (CID 168907420) is 7-[2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide.
What is the SMILES notation for 7-[2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
The canonical SMILES for 7-[2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide is O=S1(=O)CC2(CCN(CCOc3ccnc(C(F)(F)F)c3)CC2)C1.
What is the InChIKey of 7-[2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
The InChIKey is CFHIPMZJPRIAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O3S/c16-15(17,18)13-9-12(1-4-19-13)23-8-7-20-5-2-14(3-6-20)10-24(21,22)11-14/h1,4,9H,2-3,5-8,10-11H2.
What are the key properties of 7-[2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
7-[2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide has a molecular weight of 364.39 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide is sourced from PubChem (CID 168907420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).