1-(2-methyl-3-methylsulfanylpropyl)imidazolidine-2,4,5-trione

C8H12N2O3S — CID 63958046

IUPAC1-(2-methyl-3-methylsulfanylpropyl)imidazolidine-2,4,5-trione
SMILESCSCC(C)CN1C(=O)NC(=O)C1=O
InChIInChI=1S/C8H12N2O3S/c1-5(4-14-2)3-10-7(12)6(11)9-8(10)13/h5H,3-4H2,1-2H3,(H,9,11,13)
InChIKeyBIVYLKUSHFRNJN-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.06
Rot. Bonds4

About 1-(2-methyl-3-methylsulfanylpropyl)imidazolidine-2,4,5-trione

1-(2-methyl-3-methylsulfanylpropyl)imidazolidine-2,4,5-trione (PubChem CID 63958046) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is 1-(2-methyl-3-methylsulfanylpropyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(2-methyl-3-methylsulfanylpropyl)imidazolidine-2,4,5-trione
PubChem CID63958046
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Name1-(2-methyl-3-methylsulfanylpropyl)imidazolidine-2,4,5-trione
SMILESCSCC(C)CN1C(=O)NC(=O)C1=O
InChIInChI=1S/C8H12N2O3S/c1-5(4-14-2)3-10-7(12)6(11)9-8(10)13/h5H,3-4H2,1-2H3,(H,9,11,13)
InChIKeyBIVYLKUSHFRNJN-UHFFFAOYSA-N
XLogP0.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3-methylsulfanylpropyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-(2-methyl-3-methylsulfanylpropyl)imidazolidine-2,4,5-trione (CID 63958046) is 1-(2-methyl-3-methylsulfanylpropyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(2-methyl-3-methylsulfanylpropyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(2-methyl-3-methylsulfanylpropyl)imidazolidine-2,4,5-trione is CSCC(C)CN1C(=O)NC(=O)C1=O.
What is the InChIKey of 1-(2-methyl-3-methylsulfanylpropyl)imidazolidine-2,4,5-trione?
The InChIKey is BIVYLKUSHFRNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-5(4-14-2)3-10-7(12)6(11)9-8(10)13/h5H,3-4H2,1-2H3,(H,9,11,13).
What are the key properties of 1-(2-methyl-3-methylsulfanylpropyl)imidazolidine-2,4,5-trione?
1-(2-methyl-3-methylsulfanylpropyl)imidazolidine-2,4,5-trione has a molecular weight of 216.26 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3-methylsulfanylpropyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 63958046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).