1-(1-methoxy-2-phenylsulfanylethyl)pyridin-2-one

C14H15NO2S — CID 134278032

IUPAC1-(1-methoxy-2-phenylsulfanylethyl)pyridin-2-one
SMILESCOC(CSc1ccccc1)n1ccccc1=O
InChIInChI=1S/C14H15NO2S/c1-17-14(15-10-6-5-9-13(15)16)11-18-12-7-3-2-4-8-12/h2-10,14H,11H2,1H3
InChIKeyNGVHLUAAHZIKNJ-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.79
Rot. Bonds5

About 1-(1-methoxy-2-phenylsulfanylethyl)pyridin-2-one

1-(1-methoxy-2-phenylsulfanylethyl)pyridin-2-one (PubChem CID 134278032) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-(1-methoxy-2-phenylsulfanylethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(1-methoxy-2-phenylsulfanylethyl)pyridin-2-one
PubChem CID134278032
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name1-(1-methoxy-2-phenylsulfanylethyl)pyridin-2-one
SMILESCOC(CSc1ccccc1)n1ccccc1=O
InChIInChI=1S/C14H15NO2S/c1-17-14(15-10-6-5-9-13(15)16)11-18-12-7-3-2-4-8-12/h2-10,14H,11H2,1H3
InChIKeyNGVHLUAAHZIKNJ-UHFFFAOYSA-N
XLogP2.79
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-pentan-3-ylpyridin-2-one
CID 90220799
1-[1-(4-methoxyphenyl)ethyl]pyridin-2-one
CID 102218490
2,2-dimethoxyethylsulfanylbenzene;ethanamine;hydrochloride
CID 174463399
methyl 3-phenylsulfanyl-2-(phenylsulfanylmethyl)propanoate
CID 13347330
1-(2-oxo-1-pyridinyl)ethyl acetate
CID 174565058
1-(2-oxo-1,2-diphenylethyl)pyridin-2-one
CID 3828854
methyl (2R)-2-acetamido-3-phenylsulfanylpropanoate
CID 2723737
[2-(methoxymethoxy)-3-phenylsulfanylpropyl]sulfanylbenzene
CID 22910217
2-(3,4-difluorophenyl)-2-(2-oxo-1-pyridinyl)acetic acid
CID 68688446
1-[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyridin-2-one
CID 164708105
ethyl (2S)-2-(2-oxo-1-pyridinyl)propanoate
CID 66650045
1-[(1S)-1-phenylprop-2-enyl]pyridin-2-one
CID 102503080

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-2-phenylsulfanylethyl)pyridin-2-one?
The IUPAC name of 1-(1-methoxy-2-phenylsulfanylethyl)pyridin-2-one (CID 134278032) is 1-(1-methoxy-2-phenylsulfanylethyl)pyridin-2-one.
What is the SMILES notation for 1-(1-methoxy-2-phenylsulfanylethyl)pyridin-2-one?
The canonical SMILES for 1-(1-methoxy-2-phenylsulfanylethyl)pyridin-2-one is COC(CSc1ccccc1)n1ccccc1=O.
What is the InChIKey of 1-(1-methoxy-2-phenylsulfanylethyl)pyridin-2-one?
The InChIKey is NGVHLUAAHZIKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-17-14(15-10-6-5-9-13(15)16)11-18-12-7-3-2-4-8-12/h2-10,14H,11H2,1H3.
What are the key properties of 1-(1-methoxy-2-phenylsulfanylethyl)pyridin-2-one?
1-(1-methoxy-2-phenylsulfanylethyl)pyridin-2-one has a molecular weight of 261.35 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-2-phenylsulfanylethyl)pyridin-2-one is sourced from PubChem (CID 134278032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).