5-ethyl-3-methyl-5-sulfanylimidazolidine-2,4-dione

C6H10N2O2S — CID 87701231

IUPAC5-ethyl-3-methyl-5-sulfanylimidazolidine-2,4-dione
SMILESCCC1(S)NC(=O)N(C)C1=O
InChIInChI=1S/C6H10N2O2S/c1-3-6(11)4(9)8(2)5(10)7-6/h11H,3H2,1-2H3,(H,7,10)
InChIKeyWFRWGWYEPYVSLN-UHFFFAOYSA-N
MW174.22 g/mol
LogP0.20
Rot. Bonds1

About 5-ethyl-3-methyl-5-sulfanylimidazolidine-2,4-dione

5-ethyl-3-methyl-5-sulfanylimidazolidine-2,4-dione (PubChem CID 87701231) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is 5-ethyl-3-methyl-5-sulfanylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-3-methyl-5-sulfanylimidazolidine-2,4-dione
PubChem CID87701231
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name5-ethyl-3-methyl-5-sulfanylimidazolidine-2,4-dione
SMILESCCC1(S)NC(=O)N(C)C1=O
InChIInChI=1S/C6H10N2O2S/c1-3-6(11)4(9)8(2)5(10)7-6/h11H,3H2,1-2H3,(H,7,10)
InChIKeyWFRWGWYEPYVSLN-UHFFFAOYSA-N
XLogP0.20
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.20
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-5-sulfanylimidazolidine-2,4-dione?
The IUPAC name of 5-ethyl-3-methyl-5-sulfanylimidazolidine-2,4-dione (CID 87701231) is 5-ethyl-3-methyl-5-sulfanylimidazolidine-2,4-dione.
What is the SMILES notation for 5-ethyl-3-methyl-5-sulfanylimidazolidine-2,4-dione?
The canonical SMILES for 5-ethyl-3-methyl-5-sulfanylimidazolidine-2,4-dione is CCC1(S)NC(=O)N(C)C1=O.
What is the InChIKey of 5-ethyl-3-methyl-5-sulfanylimidazolidine-2,4-dione?
The InChIKey is WFRWGWYEPYVSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-3-6(11)4(9)8(2)5(10)7-6/h11H,3H2,1-2H3,(H,7,10).
What are the key properties of 5-ethyl-3-methyl-5-sulfanylimidazolidine-2,4-dione?
5-ethyl-3-methyl-5-sulfanylimidazolidine-2,4-dione has a molecular weight of 174.22 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-5-sulfanylimidazolidine-2,4-dione is sourced from PubChem (CID 87701231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).