7-[2-[4-(trifluoromethoxy)phenoxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide

C16H20F3NO4S — CID 168907516

IUPAC7-[2-[4-(trifluoromethoxy)phenoxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
SMILESO=S1(=O)CC2(CCN(CCOc3ccc(OC(F)(F)F)cc3)CC2)C1
InChIInChI=1S/C16H20F3NO4S/c17-16(18,19)24-14-3-1-13(2-4-14)23-10-9-20-7-5-15(6-8-20)11-25(21,22)12-15/h1-4H,5-12H2
InChIKeyLEJVAZGVNGBAGA-UHFFFAOYSA-N
MW379.40 g/mol
LogP2.47
Rot. Bonds5

About 7-[2-[4-(trifluoromethoxy)phenoxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide

7-[2-[4-(trifluoromethoxy)phenoxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide (PubChem CID 168907516) has the molecular formula C16H20F3NO4S and a molecular weight of 379.40 g/mol. Its IUPAC name is 7-[2-[4-(trifluoromethoxy)phenoxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide.

Molecular Properties

Compound Name7-[2-[4-(trifluoromethoxy)phenoxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
PubChem CID168907516
Molecular FormulaC16H20F3NO4S
Molecular Weight379.40 g/mol
Exact Mass379.11
IUPAC Name7-[2-[4-(trifluoromethoxy)phenoxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
SMILESO=S1(=O)CC2(CCN(CCOc3ccc(OC(F)(F)F)cc3)CC2)C1
InChIInChI=1S/C16H20F3NO4S/c17-16(18,19)24-14-3-1-13(2-4-14)23-10-9-20-7-5-15(6-8-20)11-25(21,22)12-15/h1-4H,5-12H2
InChIKeyLEJVAZGVNGBAGA-UHFFFAOYSA-N
XLogP2.47
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[2-[4-(trifluoromethoxy)phenoxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide with MolForge

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Related Compounds

1-[2-(4-fluorophenoxy)ethyl]-4-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine
CID 67298811
7-[2-[4-(trifluoromethyl)phenoxy]ethyl]-2λ4-thia-7-azaspiro[3.4]octane 2-oxide
CID 168907519
1-[1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidin-4-yl]ethanol
CID 111510943
7-[2-(4-fluorophenoxy)-2-methylpropyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
CID 168907445
7-[[1-[4-(trifluoromethyl)phenoxy]cyclobutyl]methyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
CID 168907572
4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine
CID 59343379
4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzoic acid
CID 81096927
1-[2-[2-bromo-4-(trifluoromethoxy)phenoxy]ethyl]-4-methylpiperazine
CID 171115656
4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]benzonitrile
CID 43581422
N-methyl-2-[4-(trifluoromethoxy)phenoxy]ethanamine
CID 18972791
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55370406
4-(aminomethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidin-4-ol
CID 95472427

Frequently Asked Questions

What is the IUPAC name of 7-[2-[4-(trifluoromethoxy)phenoxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
The IUPAC name of 7-[2-[4-(trifluoromethoxy)phenoxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide (CID 168907516) is 7-[2-[4-(trifluoromethoxy)phenoxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide.
What is the SMILES notation for 7-[2-[4-(trifluoromethoxy)phenoxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
The canonical SMILES for 7-[2-[4-(trifluoromethoxy)phenoxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide is O=S1(=O)CC2(CCN(CCOc3ccc(OC(F)(F)F)cc3)CC2)C1.
What is the InChIKey of 7-[2-[4-(trifluoromethoxy)phenoxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
The InChIKey is LEJVAZGVNGBAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO4S/c17-16(18,19)24-14-3-1-13(2-4-14)23-10-9-20-7-5-15(6-8-20)11-25(21,22)12-15/h1-4H,5-12H2.
What are the key properties of 7-[2-[4-(trifluoromethoxy)phenoxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
7-[2-[4-(trifluoromethoxy)phenoxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide has a molecular weight of 379.40 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[4-(trifluoromethoxy)phenoxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide is sourced from PubChem (CID 168907516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).