5-[(1,1-dioxothiolan-3-yl)amino]-1-ethylpyridin-2-one

C11H16N2O3S — CID 54866878

IUPAC5-[(1,1-dioxothiolan-3-yl)amino]-1-ethylpyridin-2-one
SMILESCCn1cc(NC2CCS(=O)(=O)C2)ccc1=O
InChIInChI=1S/C11H16N2O3S/c1-2-13-7-9(3-4-11(13)14)12-10-5-6-17(15,16)8-10/h3-4,7,10,12H,2,5-6,8H2,1H3
InChIKeySGWZGJLLPIAJEI-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.47
Rot. Bonds3

About 5-[(1,1-dioxothiolan-3-yl)amino]-1-ethylpyridin-2-one

5-[(1,1-dioxothiolan-3-yl)amino]-1-ethylpyridin-2-one (PubChem CID 54866878) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 5-[(1,1-dioxothiolan-3-yl)amino]-1-ethylpyridin-2-one.

Molecular Properties

Compound Name5-[(1,1-dioxothiolan-3-yl)amino]-1-ethylpyridin-2-one
PubChem CID54866878
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name5-[(1,1-dioxothiolan-3-yl)amino]-1-ethylpyridin-2-one
SMILESCCn1cc(NC2CCS(=O)(=O)C2)ccc1=O
InChIInChI=1S/C11H16N2O3S/c1-2-13-7-9(3-4-11(13)14)12-10-5-6-17(15,16)8-10/h3-4,7,10,12H,2,5-6,8H2,1H3
InChIKeySGWZGJLLPIAJEI-UHFFFAOYSA-N
XLogP0.47
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1,1-dioxothiolan-3-yl)amino]-1-ethylpyridin-2-one?
The IUPAC name of 5-[(1,1-dioxothiolan-3-yl)amino]-1-ethylpyridin-2-one (CID 54866878) is 5-[(1,1-dioxothiolan-3-yl)amino]-1-ethylpyridin-2-one.
What is the SMILES notation for 5-[(1,1-dioxothiolan-3-yl)amino]-1-ethylpyridin-2-one?
The canonical SMILES for 5-[(1,1-dioxothiolan-3-yl)amino]-1-ethylpyridin-2-one is CCn1cc(NC2CCS(=O)(=O)C2)ccc1=O.
What is the InChIKey of 5-[(1,1-dioxothiolan-3-yl)amino]-1-ethylpyridin-2-one?
The InChIKey is SGWZGJLLPIAJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-2-13-7-9(3-4-11(13)14)12-10-5-6-17(15,16)8-10/h3-4,7,10,12H,2,5-6,8H2,1H3.
What are the key properties of 5-[(1,1-dioxothiolan-3-yl)amino]-1-ethylpyridin-2-one?
5-[(1,1-dioxothiolan-3-yl)amino]-1-ethylpyridin-2-one has a molecular weight of 256.33 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,1-dioxothiolan-3-yl)amino]-1-ethylpyridin-2-one is sourced from PubChem (CID 54866878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).