2-ethoxy-1-[7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone

C16H22N2O3S — CID 131692577

IUPAC2-ethoxy-1-[7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
SMILESCCOCC(=O)N1CC2(CC(OCc3ccccn3)CS2)C1
InChIInChI=1S/C16H22N2O3S/c1-2-20-9-15(19)18-11-16(12-18)7-14(10-22-16)21-8-13-5-3-4-6-17-13/h3-6,14H,2,7-12H2,1H3
InChIKeyLSTMJOJHZRMXSK-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.72
Rot. Bonds6

About 2-ethoxy-1-[7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone

2-ethoxy-1-[7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone (PubChem CID 131692577) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 2-ethoxy-1-[7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
PubChem CID131692577
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name2-ethoxy-1-[7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
SMILESCCOCC(=O)N1CC2(CC(OCc3ccccn3)CS2)C1
InChIInChI=1S/C16H22N2O3S/c1-2-20-9-15(19)18-11-16(12-18)7-14(10-22-16)21-8-13-5-3-4-6-17-13/h3-6,14H,2,7-12H2,1H3
InChIKeyLSTMJOJHZRMXSK-UHFFFAOYSA-N
XLogP1.72
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-ethoxy-1-[7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone with MolForge

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Related Compounds

[(7R)-7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone
CID 124916047
pyridin-2-yl-[7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 131677620
2-(3-fluorophenyl)-1-[(7S)-7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124792985
(5-methylfuran-2-yl)-[(7S)-7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124798444
furan-2-yl-[7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 131660585
(3-methylfuran-2-yl)-[7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 131692555
(7R)-7-(pyridin-2-ylmethoxy)-2-(pyridin-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane
CID 124798745
2-methoxy-1-[7-(pyridin-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 131692469
(2-methoxy-3-pyridinyl)-[7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 171694031
pyrazin-2-yl-[7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 155866227
7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 131647834
2-[(6-methyl-2-pyridinyl)methyl]-7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 131677258

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone (CID 131692577) is 2-ethoxy-1-[7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone is CCOCC(=O)N1CC2(CC(OCc3ccccn3)CS2)C1.
What is the InChIKey of 2-ethoxy-1-[7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone?
The InChIKey is LSTMJOJHZRMXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-2-20-9-15(19)18-11-16(12-18)7-14(10-22-16)21-8-13-5-3-4-6-17-13/h3-6,14H,2,7-12H2,1H3.
What are the key properties of 2-ethoxy-1-[7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone?
2-ethoxy-1-[7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone has a molecular weight of 322.43 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone is sourced from PubChem (CID 131692577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).