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

C12H18N2O3S — CID 43629465

IUPAC5-(3-ethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
SMILESCCC1CCCN(S(=O)(=O)c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C12H18N2O3S/c1-2-10-4-3-7-14(9-10)18(16,17)11-5-6-12(15)13-8-11/h5-6,8,10H,2-4,7,9H2,1H3,(H,13,15)
InChIKeyIFGHTLQSUJTGMZ-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.19
Rot. Bonds3

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

5-(3-ethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one (PubChem CID 43629465) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 5-(3-ethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(3-ethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
PubChem CID43629465
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name5-(3-ethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
SMILESCCC1CCCN(S(=O)(=O)c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C12H18N2O3S/c1-2-10-4-3-7-14(9-10)18(16,17)11-5-6-12(15)13-8-11/h5-6,8,10H,2-4,7,9H2,1H3,(H,13,15)
InChIKeyIFGHTLQSUJTGMZ-UHFFFAOYSA-N
XLogP1.19
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3-ethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one?
The IUPAC name of 5-(3-ethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one (CID 43629465) is 5-(3-ethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 5-(3-ethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one?
The canonical SMILES for 5-(3-ethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one is CCC1CCCN(S(=O)(=O)c2ccc(=O)[nH]c2)C1.
What is the InChIKey of 5-(3-ethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one?
The InChIKey is IFGHTLQSUJTGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-2-10-4-3-7-14(9-10)18(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-ethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one?
5-(3-ethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one has a molecular weight of 270.35 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 43629465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).