7-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide

C16H21F3N2O3S — CID 168907452

IUPAC7-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
SMILESCc1nc(C(F)(F)F)ccc1OCCN1CCC2(CC1)CS(=O)(=O)C2
InChIInChI=1S/C16H21F3N2O3S/c1-12-13(2-3-14(20-12)16(17,18)19)24-9-8-21-6-4-15(5-7-21)10-25(22,23)11-15/h2-3H,4-11H2,1H3
InChIKeyQQIAWRRYVVXTOZ-UHFFFAOYSA-N
MW378.42 g/mol
LogP2.30
Rot. Bonds4

About 7-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide

7-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide (PubChem CID 168907452) has the molecular formula C16H21F3N2O3S and a molecular weight of 378.42 g/mol. Its IUPAC name is 7-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide.

Molecular Properties

Compound Name7-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
PubChem CID168907452
Molecular FormulaC16H21F3N2O3S
Molecular Weight378.42 g/mol
Exact Mass378.12
IUPAC Name7-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
SMILESCc1nc(C(F)(F)F)ccc1OCCN1CCC2(CC1)CS(=O)(=O)C2
InChIInChI=1S/C16H21F3N2O3S/c1-12-13(2-3-14(20-12)16(17,18)19)24-9-8-21-6-4-15(5-7-21)10-25(22,23)11-15/h2-3H,4-11H2,1H3
InChIKeyQQIAWRRYVVXTOZ-UHFFFAOYSA-N
XLogP2.30
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide with MolForge

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Related Compounds

US20240400579, Example 236
CID 168907420
US20240400579, Example 238
CID 168907444
US20240400579, Example 247A
CID 168907459
US20240400579, Example 249
CID 168907462
US20240400579, Example 135
CID 168907500
US20240400579, Example 210
CID 168907520
US20240400579, Example 245A
CID 168907560
US20240400579, Example 207A
CID 168907571
US20240400579, Example 244
CID 168907584
US20240400579, Example 241
CID 168907594
US20240400579, Example 207B
CID 168907622
US20240400579, Example 205
CID 168907632

Frequently Asked Questions

What is the IUPAC name of 7-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
The IUPAC name of 7-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide (CID 168907452) is 7-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide.
What is the SMILES notation for 7-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
The canonical SMILES for 7-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide is Cc1nc(C(F)(F)F)ccc1OCCN1CCC2(CC1)CS(=O)(=O)C2.
What is the InChIKey of 7-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
The InChIKey is QQIAWRRYVVXTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O3S/c1-12-13(2-3-14(20-12)16(17,18)19)24-9-8-21-6-4-15(5-7-21)10-25(22,23)11-15/h2-3H,4-11H2,1H3.
What are the key properties of 7-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
7-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide has a molecular weight of 378.42 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide is sourced from PubChem (CID 168907452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).