5-(3-ethoxypiperidin-1-yl)sulfonyl-1H-pyridin-2-one

C12H18N2O4S — CID 54989924

IUPAC5-(3-ethoxypiperidin-1-yl)sulfonyl-1H-pyridin-2-one
SMILESCCOC1CCCN(S(=O)(=O)c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C12H18N2O4S/c1-2-18-10-4-3-7-14(9-10)19(16,17)11-5-6-12(15)13-8-11/h5-6,8,10H,2-4,7,9H2,1H3,(H,13,15)
InChIKeyGLEQWJSYVVJHJO-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.56
Rot. Bonds4

About 5-(3-ethoxypiperidin-1-yl)sulfonyl-1H-pyridin-2-one

5-(3-ethoxypiperidin-1-yl)sulfonyl-1H-pyridin-2-one (PubChem CID 54989924) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 5-(3-ethoxypiperidin-1-yl)sulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(3-ethoxypiperidin-1-yl)sulfonyl-1H-pyridin-2-one
PubChem CID54989924
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name5-(3-ethoxypiperidin-1-yl)sulfonyl-1H-pyridin-2-one
SMILESCCOC1CCCN(S(=O)(=O)c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C12H18N2O4S/c1-2-18-10-4-3-7-14(9-10)19(16,17)11-5-6-12(15)13-8-11/h5-6,8,10H,2-4,7,9H2,1H3,(H,13,15)
InChIKeyGLEQWJSYVVJHJO-UHFFFAOYSA-N
XLogP0.56
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxypiperidin-1-yl)sulfonyl-1H-pyridin-2-one?
The IUPAC name of 5-(3-ethoxypiperidin-1-yl)sulfonyl-1H-pyridin-2-one (CID 54989924) is 5-(3-ethoxypiperidin-1-yl)sulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 5-(3-ethoxypiperidin-1-yl)sulfonyl-1H-pyridin-2-one?
The canonical SMILES for 5-(3-ethoxypiperidin-1-yl)sulfonyl-1H-pyridin-2-one is CCOC1CCCN(S(=O)(=O)c2ccc(=O)[nH]c2)C1.
What is the InChIKey of 5-(3-ethoxypiperidin-1-yl)sulfonyl-1H-pyridin-2-one?
The InChIKey is GLEQWJSYVVJHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-2-18-10-4-3-7-14(9-10)19(16,17)11-5-6-12(15)13-8-11/h5-6,8,10H,2-4,7,9H2,1H3,(H,13,15).
What are the key properties of 5-(3-ethoxypiperidin-1-yl)sulfonyl-1H-pyridin-2-one?
5-(3-ethoxypiperidin-1-yl)sulfonyl-1H-pyridin-2-one has a molecular weight of 286.35 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxypiperidin-1-yl)sulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 54989924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).