4-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]pyridine-2-carboxylic acid

C11H11N3O4S — CID 79554231

IUPAC4-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(SCCN2C(=O)CNC2=O)ccn1
InChIInChI=1S/C11H11N3O4S/c15-9-6-13-11(18)14(9)3-4-19-7-1-2-12-8(5-7)10(16)17/h1-2,5H,3-4,6H2,(H,13,18)(H,16,17)
InChIKeyMJADSDLOPGNIJV-UHFFFAOYSA-N
MW281.29 g/mol
LogP0.42
Rot. Bonds5

About 4-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]pyridine-2-carboxylic acid

4-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]pyridine-2-carboxylic acid (PubChem CID 79554231) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is 4-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]pyridine-2-carboxylic acid
PubChem CID79554231
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC Name4-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(SCCN2C(=O)CNC2=O)ccn1
InChIInChI=1S/C11H11N3O4S/c15-9-6-13-11(18)14(9)3-4-19-7-1-2-12-8(5-7)10(16)17/h1-2,5H,3-4,6H2,(H,13,18)(H,16,17)
InChIKeyMJADSDLOPGNIJV-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]pyridine-2-carboxylic acid (CID 79554231) is 4-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]pyridine-2-carboxylic acid is O=C(O)c1cc(SCCN2C(=O)CNC2=O)ccn1.
What is the InChIKey of 4-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]pyridine-2-carboxylic acid?
The InChIKey is MJADSDLOPGNIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S/c15-9-6-13-11(18)14(9)3-4-19-7-1-2-12-8(5-7)10(16)17/h1-2,5H,3-4,6H2,(H,13,18)(H,16,17).
What are the key properties of 4-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]pyridine-2-carboxylic acid?
4-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]pyridine-2-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 4-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 79554231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).