7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane

C12H16N2OS — CID 131647834

IUPAC7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
SMILESc1ccc(COC2CSC3(CNC3)C2)nc1
InChIInChI=1S/C12H16N2OS/c1-2-4-14-10(3-1)6-15-11-5-12(16-7-11)8-13-9-12/h1-4,11,13H,5-9H2
InChIKeyGGSYQTGPOJYPQH-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.45
Rot. Bonds3

About 7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane

7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane (PubChem CID 131647834) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
PubChem CID131647834
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
SMILESc1ccc(COC2CSC3(CNC3)C2)nc1
InChIInChI=1S/C12H16N2OS/c1-2-4-14-10(3-1)6-15-11-5-12(16-7-11)8-13-9-12/h1-4,11,13H,5-9H2
InChIKeyGGSYQTGPOJYPQH-UHFFFAOYSA-N
XLogP1.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7R)-7-(pyridin-2-ylmethoxy)-2-(pyridin-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane
CID 124798745
[(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-[(6-methyl-2-pyridinyl)methyl]-7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 131677258
2-ethoxy-1-[7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 131692577
furan-2-yl-[7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 131660585
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
7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-(pyridin-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane
CID 133143009
(3-methylfuran-2-yl)-[7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 131692555
2-cyclopropylsulfonyl-7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 155863186
7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octane
CID 131677378

Frequently Asked Questions

What is the IUPAC name of 7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane?
The IUPAC name of 7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane (CID 131647834) is 7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane.
What is the SMILES notation for 7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane?
The canonical SMILES for 7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane is c1ccc(COC2CSC3(CNC3)C2)nc1.
What is the InChIKey of 7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane?
The InChIKey is GGSYQTGPOJYPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-2-4-14-10(3-1)6-15-11-5-12(16-7-11)8-13-9-12/h1-4,11,13H,5-9H2.
What are the key properties of 7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane?
7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane has a molecular weight of 236.34 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane is sourced from PubChem (CID 131647834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).