1-(3-methylsulfanylpropyl)imidazolidine-2,4-dione

C7H12N2O2S — CID 79777661

IUPAC1-(3-methylsulfanylpropyl)imidazolidine-2,4-dione
SMILESCSCCCN1CC(=O)NC1=O
InChIInChI=1S/C7H12N2O2S/c1-12-4-2-3-9-5-6(10)8-7(9)11/h2-5H2,1H3,(H,8,10,11)
InChIKeyMMRAQDGCVBLTBG-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.29
Rot. Bonds4

About 1-(3-methylsulfanylpropyl)imidazolidine-2,4-dione

1-(3-methylsulfanylpropyl)imidazolidine-2,4-dione (PubChem CID 79777661) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 1-(3-methylsulfanylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(3-methylsulfanylpropyl)imidazolidine-2,4-dione
PubChem CID79777661
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name1-(3-methylsulfanylpropyl)imidazolidine-2,4-dione
SMILESCSCCCN1CC(=O)NC1=O
InChIInChI=1S/C7H12N2O2S/c1-12-4-2-3-9-5-6(10)8-7(9)11/h2-5H2,1H3,(H,8,10,11)
InChIKeyMMRAQDGCVBLTBG-UHFFFAOYSA-N
XLogP0.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.29
H-Bond Donors ≤ 51
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 1-(3-methylsulfanylpropyl)imidazolidine-2,4-dione?
The IUPAC name of 1-(3-methylsulfanylpropyl)imidazolidine-2,4-dione (CID 79777661) is 1-(3-methylsulfanylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-(3-methylsulfanylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-(3-methylsulfanylpropyl)imidazolidine-2,4-dione is CSCCCN1CC(=O)NC1=O.
What is the InChIKey of 1-(3-methylsulfanylpropyl)imidazolidine-2,4-dione?
The InChIKey is MMRAQDGCVBLTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-12-4-2-3-9-5-6(10)8-7(9)11/h2-5H2,1H3,(H,8,10,11).
What are the key properties of 1-(3-methylsulfanylpropyl)imidazolidine-2,4-dione?
1-(3-methylsulfanylpropyl)imidazolidine-2,4-dione has a molecular weight of 188.25 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfanylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 79777661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).