2-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid

C11H11N3O4S — CID 43352295

IUPAC2-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1SCCN1C(=O)CNC1=O
InChIInChI=1S/C11H11N3O4S/c15-8-6-13-11(18)14(8)4-5-19-9-7(10(16)17)2-1-3-12-9/h1-3H,4-6H2,(H,13,18)(H,16,17)
InChIKeyAJLUSHJEFVNYTO-UHFFFAOYSA-N
MW281.29 g/mol
LogP0.42
Rot. Bonds5

About 2-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid

2-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid (PubChem CID 43352295) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is 2-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid
PubChem CID43352295
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC Name2-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1SCCN1C(=O)CNC1=O
InChIInChI=1S/C11H11N3O4S/c15-8-6-13-11(18)14(8)4-5-19-9-7(10(16)17)2-1-3-12-9/h1-3H,4-6H2,(H,13,18)(H,16,17)
InChIKeyAJLUSHJEFVNYTO-UHFFFAOYSA-N
XLogP0.42
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 2-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid 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 2-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid (CID 43352295) is 2-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1SCCN1C(=O)CNC1=O.
What is the InChIKey of 2-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid?
The InChIKey is AJLUSHJEFVNYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S/c15-8-6-13-11(18)14(8)4-5-19-9-7(10(16)17)2-1-3-12-9/h1-3H,4-6H2,(H,13,18)(H,16,17).
What are the key properties of 2-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid?
2-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid has a molecular weight of 281.29 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 43352295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).