1-(2-methylpropyl)-5-sulfanylimidazolidine-2,4-dione

C7H12N2O2S — CID 87234225

IUPAC1-(2-methylpropyl)-5-sulfanylimidazolidine-2,4-dione
SMILESCC(C)CN1C(=O)NC(=O)C1S
InChIInChI=1S/C7H12N2O2S/c1-4(2)3-9-6(12)5(10)8-7(9)11/h4,6,12H,3H2,1-2H3,(H,8,10,11)
InChIKeyKNYLACLSUOVMGS-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.45
Rot. Bonds2

About 1-(2-methylpropyl)-5-sulfanylimidazolidine-2,4-dione

1-(2-methylpropyl)-5-sulfanylimidazolidine-2,4-dione (PubChem CID 87234225) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 1-(2-methylpropyl)-5-sulfanylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(2-methylpropyl)-5-sulfanylimidazolidine-2,4-dione
PubChem CID87234225
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name1-(2-methylpropyl)-5-sulfanylimidazolidine-2,4-dione
SMILESCC(C)CN1C(=O)NC(=O)C1S
InChIInChI=1S/C7H12N2O2S/c1-4(2)3-9-6(12)5(10)8-7(9)11/h4,6,12H,3H2,1-2H3,(H,8,10,11)
InChIKeyKNYLACLSUOVMGS-UHFFFAOYSA-N
XLogP0.45
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.45
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-(2-methylpropyl)-5-sulfanylimidazolidine-2,4-dione?
The IUPAC name of 1-(2-methylpropyl)-5-sulfanylimidazolidine-2,4-dione (CID 87234225) is 1-(2-methylpropyl)-5-sulfanylimidazolidine-2,4-dione.
What is the SMILES notation for 1-(2-methylpropyl)-5-sulfanylimidazolidine-2,4-dione?
The canonical SMILES for 1-(2-methylpropyl)-5-sulfanylimidazolidine-2,4-dione is CC(C)CN1C(=O)NC(=O)C1S.
What is the InChIKey of 1-(2-methylpropyl)-5-sulfanylimidazolidine-2,4-dione?
The InChIKey is KNYLACLSUOVMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-4(2)3-9-6(12)5(10)8-7(9)11/h4,6,12H,3H2,1-2H3,(H,8,10,11).
What are the key properties of 1-(2-methylpropyl)-5-sulfanylimidazolidine-2,4-dione?
1-(2-methylpropyl)-5-sulfanylimidazolidine-2,4-dione has a molecular weight of 188.25 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-5-sulfanylimidazolidine-2,4-dione is sourced from PubChem (CID 87234225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).