1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridin-2-one

C11H16N2O3S — CID 55087439

IUPAC1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCNC1CCS(=O)(=O)C1
InChIInChI=1S/C11H16N2O3S/c14-11-3-1-2-6-13(11)7-5-12-10-4-8-17(15,16)9-10/h1-3,6,10,12H,4-5,7-9H2
InChIKeyMBOAIOIFBHDKJP-UHFFFAOYSA-N
MW256.33 g/mol
LogP-0.38
Rot. Bonds4

About 1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridin-2-one

1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridin-2-one (PubChem CID 55087439) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridin-2-one
PubChem CID55087439
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCNC1CCS(=O)(=O)C1
InChIInChI=1S/C11H16N2O3S/c14-11-3-1-2-6-13(11)7-5-12-10-4-8-17(15,16)9-10/h1-3,6,10,12H,4-5,7-9H2
InChIKeyMBOAIOIFBHDKJP-UHFFFAOYSA-N
XLogP-0.38
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]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 1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridin-2-one (CID 55087439) is 1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridin-2-one is O=c1ccccn1CCNC1CCS(=O)(=O)C1.
What is the InChIKey of 1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridin-2-one?
The InChIKey is MBOAIOIFBHDKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c14-11-3-1-2-6-13(11)7-5-12-10-4-8-17(15,16)9-10/h1-3,6,10,12H,4-5,7-9H2.
What are the key properties of 1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridin-2-one?
1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridin-2-one has a molecular weight of 256.33 g/mol, XLogP of -0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridin-2-one is sourced from PubChem (CID 55087439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).