3-methoxy-1-(2-oxo-2-thiomorpholin-4-ylethyl)pyridin-2-one

C12H16N2O3S — CID 72931086

IUPAC3-methoxy-1-(2-oxo-2-thiomorpholin-4-ylethyl)pyridin-2-one
SMILESCOc1cccn(CC(=O)N2CCSCC2)c1=O
InChIInChI=1S/C12H16N2O3S/c1-17-10-3-2-4-14(12(10)16)9-11(15)13-5-7-18-8-6-13/h2-4H,5-9H2,1H3
InChIKeyJONYMGQBNBDJDQ-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.43
Rot. Bonds3

About 3-methoxy-1-(2-oxo-2-thiomorpholin-4-ylethyl)pyridin-2-one

3-methoxy-1-(2-oxo-2-thiomorpholin-4-ylethyl)pyridin-2-one (PubChem CID 72931086) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-methoxy-1-(2-oxo-2-thiomorpholin-4-ylethyl)pyridin-2-one.

Molecular Properties

Compound Name3-methoxy-1-(2-oxo-2-thiomorpholin-4-ylethyl)pyridin-2-one
PubChem CID72931086
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name3-methoxy-1-(2-oxo-2-thiomorpholin-4-ylethyl)pyridin-2-one
SMILESCOc1cccn(CC(=O)N2CCSCC2)c1=O
InChIInChI=1S/C12H16N2O3S/c1-17-10-3-2-4-14(12(10)16)9-11(15)13-5-7-18-8-6-13/h2-4H,5-9H2,1H3
InChIKeyJONYMGQBNBDJDQ-UHFFFAOYSA-N
XLogP0.43
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-1-[2-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-oxoethyl]pyridin-2-one
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CID 97283001
3-methoxy-1-[2-(9-oxa-2-azaspiro[5.5]undecan-2-yl)-2-oxoethyl]pyridin-2-one
CID 72884824
1-[2-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-oxoethyl]-3-methoxypyridin-2-one
CID 97284852
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CID 72901150
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CID 82151240
1-[2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-oxoethyl]-3-methoxypyridin-2-one;hydrochloride
CID 154899860
3-methoxy-1-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 97269461
3-(3-methylbutoxy)-1-(2-oxo-2-piperazin-1-ylethyl)pyridin-2-one
CID 94758661
3-methoxy-1-[2-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 97281858

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(2-oxo-2-thiomorpholin-4-ylethyl)pyridin-2-one?
The IUPAC name of 3-methoxy-1-(2-oxo-2-thiomorpholin-4-ylethyl)pyridin-2-one (CID 72931086) is 3-methoxy-1-(2-oxo-2-thiomorpholin-4-ylethyl)pyridin-2-one.
What is the SMILES notation for 3-methoxy-1-(2-oxo-2-thiomorpholin-4-ylethyl)pyridin-2-one?
The canonical SMILES for 3-methoxy-1-(2-oxo-2-thiomorpholin-4-ylethyl)pyridin-2-one is COc1cccn(CC(=O)N2CCSCC2)c1=O.
What is the InChIKey of 3-methoxy-1-(2-oxo-2-thiomorpholin-4-ylethyl)pyridin-2-one?
The InChIKey is JONYMGQBNBDJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-17-10-3-2-4-14(12(10)16)9-11(15)13-5-7-18-8-6-13/h2-4H,5-9H2,1H3.
What are the key properties of 3-methoxy-1-(2-oxo-2-thiomorpholin-4-ylethyl)pyridin-2-one?
3-methoxy-1-(2-oxo-2-thiomorpholin-4-ylethyl)pyridin-2-one has a molecular weight of 268.34 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(2-oxo-2-thiomorpholin-4-ylethyl)pyridin-2-one is sourced from PubChem (CID 72931086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).