5-[(4-ethylphenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one

C14H15NO2S — CID 71186095

IUPAC5-[(4-ethylphenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one
SMILESCCc1ccc(CSc2c[nH]c(=O)c(O)c2)cc1
InChIInChI=1S/C14H15NO2S/c1-2-10-3-5-11(6-4-10)9-18-12-7-13(16)14(17)15-8-12/h3-8,16H,2,9H2,1H3,(H,15,17)
InChIKeyAWXZDULWNKGIFU-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.94
Rot. Bonds4

About 5-[(4-ethylphenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one

5-[(4-ethylphenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one (PubChem CID 71186095) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 5-[(4-ethylphenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(4-ethylphenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one
PubChem CID71186095
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name5-[(4-ethylphenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one
SMILESCCc1ccc(CSc2c[nH]c(=O)c(O)c2)cc1
InChIInChI=1S/C14H15NO2S/c1-2-10-3-5-11(6-4-10)9-18-12-7-13(16)14(17)15-8-12/h3-8,16H,2,9H2,1H3,(H,15,17)
InChIKeyAWXZDULWNKGIFU-UHFFFAOYSA-N
XLogP2.94
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylphenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one?
The IUPAC name of 5-[(4-ethylphenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one (CID 71186095) is 5-[(4-ethylphenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 5-[(4-ethylphenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 5-[(4-ethylphenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one is CCc1ccc(CSc2c[nH]c(=O)c(O)c2)cc1.
What is the InChIKey of 5-[(4-ethylphenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one?
The InChIKey is AWXZDULWNKGIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-2-10-3-5-11(6-4-10)9-18-12-7-13(16)14(17)15-8-12/h3-8,16H,2,9H2,1H3,(H,15,17).
What are the key properties of 5-[(4-ethylphenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one?
5-[(4-ethylphenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one has a molecular weight of 261.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylphenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 71186095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).