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

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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).