5-[(4-ethylphenyl)methylsulfanyl]-3-hydroxypiperidin-2-one

C14H19NO2S — CID 121493741

IUPAC5-[(4-ethylphenyl)methylsulfanyl]-3-hydroxypiperidin-2-one
SMILESCCc1ccc(CSC2CNC(=O)C(O)C2)cc1
InChIInChI=1S/C14H19NO2S/c1-2-10-3-5-11(6-4-10)9-18-12-7-13(16)14(17)15-8-12/h3-6,12-13,16H,2,7-9H2,1H3,(H,15,17)
InChIKeyGPYOKPZQOAQWIM-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.73
Rot. Bonds4

About 5-[(4-ethylphenyl)methylsulfanyl]-3-hydroxypiperidin-2-one

5-[(4-ethylphenyl)methylsulfanyl]-3-hydroxypiperidin-2-one (PubChem CID 121493741) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 5-[(4-ethylphenyl)methylsulfanyl]-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name5-[(4-ethylphenyl)methylsulfanyl]-3-hydroxypiperidin-2-one
PubChem CID121493741
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name5-[(4-ethylphenyl)methylsulfanyl]-3-hydroxypiperidin-2-one
SMILESCCc1ccc(CSC2CNC(=O)C(O)C2)cc1
InChIInChI=1S/C14H19NO2S/c1-2-10-3-5-11(6-4-10)9-18-12-7-13(16)14(17)15-8-12/h3-6,12-13,16H,2,7-9H2,1H3,(H,15,17)
InChIKeyGPYOKPZQOAQWIM-UHFFFAOYSA-N
XLogP1.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Hydroxy-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]piperidin-2-one
CID 121493737
5-[(4-Fluorophenyl)methylsulfanyl]-3-hydroxypiperidin-2-one
CID 121493740
5-[(3,4-Difluorophenyl)methylsulfanyl]-3-hydroxypiperidin-2-one
CID 121493746
5-[(3-Fluorophenyl)methylsulfanyl]-3-hydroxypiperidin-2-one
CID 121493756
5-Benzylsulfanyl-3-hydroxypiperidin-2-one
CID 78024325
5-Benzylsulfonyl-3-hydroxypiperidin-2-one
CID 78024336
5-[(4-Chlorophenyl)methylsulfanyl]-3-hydroxypiperidin-2-one
CID 121493731
3-Hydroxy-5-[(4-methylphenyl)methylsulfanyl]piperidin-2-one
CID 121493732
3-Hydroxy-5-[(3-methylphenyl)methylsulfanyl]piperidin-2-one
CID 121493733
5-[(3-Chlorophenyl)methylsulfanyl]-3-hydroxypiperidin-2-one
CID 121493734
5-[(2-Chlorophenyl)methylsulfanyl]-3-hydroxypiperidin-2-one
CID 121493736
3-Hydroxy-5-[(2-methylphenyl)methylsulfanyl]piperidin-2-one
CID 121493738

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylphenyl)methylsulfanyl]-3-hydroxypiperidin-2-one?
The IUPAC name of 5-[(4-ethylphenyl)methylsulfanyl]-3-hydroxypiperidin-2-one (CID 121493741) is 5-[(4-ethylphenyl)methylsulfanyl]-3-hydroxypiperidin-2-one.
What is the SMILES notation for 5-[(4-ethylphenyl)methylsulfanyl]-3-hydroxypiperidin-2-one?
The canonical SMILES for 5-[(4-ethylphenyl)methylsulfanyl]-3-hydroxypiperidin-2-one is CCc1ccc(CSC2CNC(=O)C(O)C2)cc1.
What is the InChIKey of 5-[(4-ethylphenyl)methylsulfanyl]-3-hydroxypiperidin-2-one?
The InChIKey is GPYOKPZQOAQWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-2-10-3-5-11(6-4-10)9-18-12-7-13(16)14(17)15-8-12/h3-6,12-13,16H,2,7-9H2,1H3,(H,15,17).
What are the key properties of 5-[(4-ethylphenyl)methylsulfanyl]-3-hydroxypiperidin-2-one?
5-[(4-ethylphenyl)methylsulfanyl]-3-hydroxypiperidin-2-one has a molecular weight of 265.38 g/mol, XLogP of 1.73, 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-hydroxypiperidin-2-one is sourced from PubChem (CID 121493741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).