5-methyl-3-propan-2-yl-5-sulfanylimidazolidine-2,4-dione

C7H12N2O2S — CID 87233918

IUPAC5-methyl-3-propan-2-yl-5-sulfanylimidazolidine-2,4-dione
SMILESCC(C)N1C(=O)NC(C)(S)C1=O
InChIInChI=1S/C7H12N2O2S/c1-4(2)9-5(10)7(3,12)8-6(9)11/h4,12H,1-3H3,(H,8,11)
InChIKeyPXOLDZXFFSNLPT-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.59
Rot. Bonds1

About 5-methyl-3-propan-2-yl-5-sulfanylimidazolidine-2,4-dione

5-methyl-3-propan-2-yl-5-sulfanylimidazolidine-2,4-dione (PubChem CID 87233918) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 5-methyl-3-propan-2-yl-5-sulfanylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-propan-2-yl-5-sulfanylimidazolidine-2,4-dione
PubChem CID87233918
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name5-methyl-3-propan-2-yl-5-sulfanylimidazolidine-2,4-dione
SMILESCC(C)N1C(=O)NC(C)(S)C1=O
InChIInChI=1S/C7H12N2O2S/c1-4(2)9-5(10)7(3,12)8-6(9)11/h4,12H,1-3H3,(H,8,11)
InChIKeyPXOLDZXFFSNLPT-UHFFFAOYSA-N
XLogP0.59
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.59
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-methyl-3-propan-2-yl-5-sulfanylimidazolidine-2,4-dione?
The IUPAC name of 5-methyl-3-propan-2-yl-5-sulfanylimidazolidine-2,4-dione (CID 87233918) is 5-methyl-3-propan-2-yl-5-sulfanylimidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-propan-2-yl-5-sulfanylimidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-3-propan-2-yl-5-sulfanylimidazolidine-2,4-dione is CC(C)N1C(=O)NC(C)(S)C1=O.
What is the InChIKey of 5-methyl-3-propan-2-yl-5-sulfanylimidazolidine-2,4-dione?
The InChIKey is PXOLDZXFFSNLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-4(2)9-5(10)7(3,12)8-6(9)11/h4,12H,1-3H3,(H,8,11).
What are the key properties of 5-methyl-3-propan-2-yl-5-sulfanylimidazolidine-2,4-dione?
5-methyl-3-propan-2-yl-5-sulfanylimidazolidine-2,4-dione has a molecular weight of 188.25 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-propan-2-yl-5-sulfanylimidazolidine-2,4-dione is sourced from PubChem (CID 87233918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).