7-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide

C16H21F3N2O2S — CID 168907757

IUPAC7-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide
SMILESCc1nc(C(F)(F)F)ccc1OCCN1CCC2(CC1)CS(=O)C2
InChIInChI=1S/C16H21F3N2O2S/c1-12-13(2-3-14(20-12)16(17,18)19)23-9-8-21-6-4-15(5-7-21)10-24(22)11-15/h2-3H,4-11H2,1H3
InChIKeyYSSIELZRJUWJHL-UHFFFAOYSA-N
MW362.42 g/mol
LogP2.63
Rot. Bonds4

About 7-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide

7-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide (PubChem CID 168907757) has the molecular formula C16H21F3N2O2S and a molecular weight of 362.42 g/mol. Its IUPAC name is 7-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide.

Molecular Properties

Compound Name7-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide
PubChem CID168907757
Molecular FormulaC16H21F3N2O2S
Molecular Weight362.42 g/mol
Exact Mass362.13
IUPAC Name7-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide
SMILESCc1nc(C(F)(F)F)ccc1OCCN1CCC2(CC1)CS(=O)C2
InChIInChI=1S/C16H21F3N2O2S/c1-12-13(2-3-14(20-12)16(17,18)19)23-9-8-21-6-4-15(5-7-21)10-24(22)11-15/h2-3H,4-11H2,1H3
InChIKeyYSSIELZRJUWJHL-UHFFFAOYSA-N
XLogP2.63
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[2-[4-(trifluoromethyl)phenoxy]ethyl]-2λ4-thia-7-azaspiro[3.4]octane 2-oxide
CID 168907519
methanol;4-methyl-4-(2-nitrophenoxy)-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine;2-[4-methyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-yl]oxyaniline
CID 160752683
6-(4,4-difluoropiperidin-1-yl)-2-methyl-3-(2,2,2-trifluoroethoxy)pyridine
CID 146526057
7-[2-[4-(trifluoromethoxy)phenoxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
CID 168907516
1-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclopropane-1-carboxamide
CID 175885332
methyl 6-bromo-3-(2-pyrrolidin-1-ylethoxy)pyridine-2-carboxylate
CID 167230972
6-methyl-3-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-amine
CID 82889348
7-[(1R,3R)-3-[6-(trifluoromethyl)-3-pyridinyl]cyclohexyl]-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide;hydrate
CID 168907252
2-amino-6-[4-[2-(aziridin-1-yl)ethoxy]-3-(trifluoromethyl)phenyl]pyridazin-3-one
CID 89431591
4,4-difluoro-1-[2-(3-propan-2-ylnaphthalen-2-yl)oxyethyl]piperidine
CID 146440632
(4-ethylpiperazin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 134004996
4-methyl-1-[3-[2-(trifluoromethyl)phenoxy]propyl]piperidin-4-ol
CID 121418449

Frequently Asked Questions

What is the IUPAC name of 7-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide?
The IUPAC name of 7-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide (CID 168907757) is 7-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide.
What is the SMILES notation for 7-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide?
The canonical SMILES for 7-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide is Cc1nc(C(F)(F)F)ccc1OCCN1CCC2(CC1)CS(=O)C2.
What is the InChIKey of 7-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide?
The InChIKey is YSSIELZRJUWJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2S/c1-12-13(2-3-14(20-12)16(17,18)19)23-9-8-21-6-4-15(5-7-21)10-24(22)11-15/h2-3H,4-11H2,1H3.
What are the key properties of 7-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide?
7-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide has a molecular weight of 362.42 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide is sourced from PubChem (CID 168907757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).