1,3,4,4a,5,7,8,8a-octahydrothiopyrano[4,3-b]pyridin-2-one

C8H13NOS — CID 83816303

IUPAC1,3,4,4a,5,7,8,8a-octahydrothiopyrano[4,3-b]pyridin-2-one
SMILESO=C1CCC2CSCCC2N1
InChIInChI=1S/C8H13NOS/c10-8-2-1-6-5-11-4-3-7(6)9-8/h6-7H,1-5H2,(H,9,10)
InChIKeyMMTORKQWZBTGOO-UHFFFAOYSA-N
MW171.26 g/mol
LogP1.02
Rot. Bonds

About 1,3,4,4a,5,7,8,8a-octahydrothiopyrano[4,3-b]pyridin-2-one

1,3,4,4a,5,7,8,8a-octahydrothiopyrano[4,3-b]pyridin-2-one (PubChem CID 83816303) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 1,3,4,4a,5,7,8,8a-octahydrothiopyrano[4,3-b]pyridin-2-one.

Molecular Properties

Compound Name1,3,4,4a,5,7,8,8a-octahydrothiopyrano[4,3-b]pyridin-2-one
PubChem CID83816303
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name1,3,4,4a,5,7,8,8a-octahydrothiopyrano[4,3-b]pyridin-2-one
SMILESO=C1CCC2CSCCC2N1
InChIInChI=1S/C8H13NOS/c10-8-2-1-6-5-11-4-3-7(6)9-8/h6-7H,1-5H2,(H,9,10)
InChIKeyMMTORKQWZBTGOO-UHFFFAOYSA-N
XLogP1.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyridin-2-one;molecular hydrogen
CID 144857343
(4aR,9aS)-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridin-2-one
CID 18639715
(5S)-5-[(2S)-5-oxopyrrolidin-2-yl]pyrrolidin-2-one
CID 7061092
(5S)-5-cyclopentylpyrrolidin-2-one
CID 15156533
6-(thiomorpholine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 82916460
6-bromo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 174453871
5-piperidin-4-ylpyrrolidin-2-one;hydrochloride
CID 42609658
5-(4-chlorocyclohexyl)pyrrolidin-2-one
CID 122491329
4-(thian-3-yl)pyrrolidin-2-one
CID 105441847
(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-1,7-naphthyridin-2-one
CID 82416611
6-methylsulfinyl-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 131043404
(5R)-5-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidin-2-one
CID 125488949

Frequently Asked Questions

What is the IUPAC name of 1,3,4,4a,5,7,8,8a-octahydrothiopyrano[4,3-b]pyridin-2-one?
The IUPAC name of 1,3,4,4a,5,7,8,8a-octahydrothiopyrano[4,3-b]pyridin-2-one (CID 83816303) is 1,3,4,4a,5,7,8,8a-octahydrothiopyrano[4,3-b]pyridin-2-one.
What is the SMILES notation for 1,3,4,4a,5,7,8,8a-octahydrothiopyrano[4,3-b]pyridin-2-one?
The canonical SMILES for 1,3,4,4a,5,7,8,8a-octahydrothiopyrano[4,3-b]pyridin-2-one is O=C1CCC2CSCCC2N1.
What is the InChIKey of 1,3,4,4a,5,7,8,8a-octahydrothiopyrano[4,3-b]pyridin-2-one?
The InChIKey is MMTORKQWZBTGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c10-8-2-1-6-5-11-4-3-7(6)9-8/h6-7H,1-5H2,(H,9,10).
What are the key properties of 1,3,4,4a,5,7,8,8a-octahydrothiopyrano[4,3-b]pyridin-2-one?
1,3,4,4a,5,7,8,8a-octahydrothiopyrano[4,3-b]pyridin-2-one has a molecular weight of 171.26 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,4a,5,7,8,8a-octahydrothiopyrano[4,3-b]pyridin-2-one is sourced from PubChem (CID 83816303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).