1-[2-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]ethyl]pyridin-2-one

C14H16N2O2S — CID 54097178

IUPAC1-[2-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCSCCn1ccccc1=O
InChIInChI=1S/C14H16N2O2S/c17-13-5-1-3-7-15(13)9-11-19-12-10-16-8-4-2-6-14(16)18/h1-8H,9-12H2
InChIKeyMXYGWMIRLBSOTO-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.44
Rot. Bonds6

About 1-[2-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]ethyl]pyridin-2-one

1-[2-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]ethyl]pyridin-2-one (PubChem CID 54097178) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-[2-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]ethyl]pyridin-2-one
PubChem CID54097178
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name1-[2-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCSCCn1ccccc1=O
InChIInChI=1S/C14H16N2O2S/c17-13-5-1-3-7-15(13)9-11-19-12-10-16-8-4-2-6-14(16)18/h1-8H,9-12H2
InChIKeyMXYGWMIRLBSOTO-UHFFFAOYSA-N
XLogP1.44
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]ethyl]pyridin-2-one (CID 54097178) is 1-[2-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]ethyl]pyridin-2-one is O=c1ccccn1CCSCCn1ccccc1=O.
What is the InChIKey of 1-[2-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]ethyl]pyridin-2-one?
The InChIKey is MXYGWMIRLBSOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c17-13-5-1-3-7-15(13)9-11-19-12-10-16-8-4-2-6-14(16)18/h1-8H,9-12H2.
What are the key properties of 1-[2-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]ethyl]pyridin-2-one?
1-[2-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]ethyl]pyridin-2-one has a molecular weight of 276.36 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]ethyl]pyridin-2-one is sourced from PubChem (CID 54097178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).