1-methyl-5-sulfanylimidazolidine-2,4-dione;propane

C7H14N2O2S — CID 174538671

IUPAC1-methyl-5-sulfanylimidazolidine-2,4-dione;propane
SMILESCCC.CN1C(=O)NC(=O)C1S
InChIInChI=1S/C4H6N2O2S.C3H8/c1-6-3(9)2(7)5-4(6)8;1-3-2/h3,9H,1H3,(H,5,7,8);3H2,1-2H3
InChIKeyNEEPQVVROANJPL-UHFFFAOYSA-N
MW190.27 g/mol
LogP0.84
Rot. Bonds

About 1-methyl-5-sulfanylimidazolidine-2,4-dione;propane

1-methyl-5-sulfanylimidazolidine-2,4-dione;propane (PubChem CID 174538671) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 1-methyl-5-sulfanylimidazolidine-2,4-dione;propane.

Molecular Properties

Compound Name1-methyl-5-sulfanylimidazolidine-2,4-dione;propane
PubChem CID174538671
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC Name1-methyl-5-sulfanylimidazolidine-2,4-dione;propane
SMILESCCC.CN1C(=O)NC(=O)C1S
InChIInChI=1S/C4H6N2O2S.C3H8/c1-6-3(9)2(7)5-4(6)8;1-3-2/h3,9H,1H3,(H,5,7,8);3H2,1-2H3
InChIKeyNEEPQVVROANJPL-UHFFFAOYSA-N
XLogP0.84
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 50.84
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 1-methyl-5-sulfanylimidazolidine-2,4-dione;propane?
The IUPAC name of 1-methyl-5-sulfanylimidazolidine-2,4-dione;propane (CID 174538671) is 1-methyl-5-sulfanylimidazolidine-2,4-dione;propane.
What is the SMILES notation for 1-methyl-5-sulfanylimidazolidine-2,4-dione;propane?
The canonical SMILES for 1-methyl-5-sulfanylimidazolidine-2,4-dione;propane is CCC.CN1C(=O)NC(=O)C1S.
What is the InChIKey of 1-methyl-5-sulfanylimidazolidine-2,4-dione;propane?
The InChIKey is NEEPQVVROANJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2S.C3H8/c1-6-3(9)2(7)5-4(6)8;1-3-2/h3,9H,1H3,(H,5,7,8);3H2,1-2H3.
What are the key properties of 1-methyl-5-sulfanylimidazolidine-2,4-dione;propane?
1-methyl-5-sulfanylimidazolidine-2,4-dione;propane has a molecular weight of 190.27 g/mol, XLogP of 0.84, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-sulfanylimidazolidine-2,4-dione;propane is sourced from PubChem (CID 174538671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).