1-(2-sulfanylethyl)imidazolidine-2,4-dione

C5H8N2O2S — CID 168970418

IUPAC1-(2-sulfanylethyl)imidazolidine-2,4-dione
SMILESO=C1CN(CCS)C(=O)N1
InChIInChI=1S/C5H8N2O2S/c8-4-3-7(1-2-10)5(9)6-4/h10H,1-3H2,(H,6,8,9)
InChIKeyWYWZWWANKUQPED-UHFFFAOYSA-N
MW160.20 g/mol
LogP-0.53
Rot. Bonds2

About 1-(2-sulfanylethyl)imidazolidine-2,4-dione

1-(2-sulfanylethyl)imidazolidine-2,4-dione (PubChem CID 168970418) has the molecular formula C5H8N2O2S and a molecular weight of 160.20 g/mol. Its IUPAC name is 1-(2-sulfanylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(2-sulfanylethyl)imidazolidine-2,4-dione
PubChem CID168970418
Molecular FormulaC5H8N2O2S
Molecular Weight160.20 g/mol
Exact Mass160.03
IUPAC Name1-(2-sulfanylethyl)imidazolidine-2,4-dione
SMILESO=C1CN(CCS)C(=O)N1
InChIInChI=1S/C5H8N2O2S/c8-4-3-7(1-2-10)5(9)6-4/h10H,1-3H2,(H,6,8,9)
InChIKeyWYWZWWANKUQPED-UHFFFAOYSA-N
XLogP-0.53
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-(2-sulfanylethyl)imidazolidine-2,4-dione 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-sulfanylethyl)imidazolidine-2,4-dione?
The IUPAC name of 1-(2-sulfanylethyl)imidazolidine-2,4-dione (CID 168970418) is 1-(2-sulfanylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-(2-sulfanylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-(2-sulfanylethyl)imidazolidine-2,4-dione is O=C1CN(CCS)C(=O)N1.
What is the InChIKey of 1-(2-sulfanylethyl)imidazolidine-2,4-dione?
The InChIKey is WYWZWWANKUQPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2S/c8-4-3-7(1-2-10)5(9)6-4/h10H,1-3H2,(H,6,8,9).
What are the key properties of 1-(2-sulfanylethyl)imidazolidine-2,4-dione?
1-(2-sulfanylethyl)imidazolidine-2,4-dione has a molecular weight of 160.20 g/mol, XLogP of -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-sulfanylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 168970418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).