5-methyl-5-(propylsulfanylmethyl)imidazolidine-2,4-dione

C8H14N2O2S — CID 21133012

IUPAC5-methyl-5-(propylsulfanylmethyl)imidazolidine-2,4-dione
SMILESCCCSCC1(C)NC(=O)NC1=O
InChIInChI=1S/C8H14N2O2S/c1-3-4-13-5-8(2)6(11)9-7(12)10-8/h3-5H2,1-2H3,(H2,9,10,11,12)
InChIKeyOYTIPMLZTVOYMW-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.73
Rot. Bonds4

About 5-methyl-5-(propylsulfanylmethyl)imidazolidine-2,4-dione

5-methyl-5-(propylsulfanylmethyl)imidazolidine-2,4-dione (PubChem CID 21133012) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 5-methyl-5-(propylsulfanylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-(propylsulfanylmethyl)imidazolidine-2,4-dione
PubChem CID21133012
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name5-methyl-5-(propylsulfanylmethyl)imidazolidine-2,4-dione
SMILESCCCSCC1(C)NC(=O)NC1=O
InChIInChI=1S/C8H14N2O2S/c1-3-4-13-5-8(2)6(11)9-7(12)10-8/h3-5H2,1-2H3,(H2,9,10,11,12)
InChIKeyOYTIPMLZTVOYMW-UHFFFAOYSA-N
XLogP0.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(propylsulfanylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-(propylsulfanylmethyl)imidazolidine-2,4-dione (CID 21133012) is 5-methyl-5-(propylsulfanylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-(propylsulfanylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-(propylsulfanylmethyl)imidazolidine-2,4-dione is CCCSCC1(C)NC(=O)NC1=O.
What is the InChIKey of 5-methyl-5-(propylsulfanylmethyl)imidazolidine-2,4-dione?
The InChIKey is OYTIPMLZTVOYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-3-4-13-5-8(2)6(11)9-7(12)10-8/h3-5H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 5-methyl-5-(propylsulfanylmethyl)imidazolidine-2,4-dione?
5-methyl-5-(propylsulfanylmethyl)imidazolidine-2,4-dione has a molecular weight of 202.28 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(propylsulfanylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 21133012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).