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

C7H12N2O2S — CID 560576

IUPAC5-(propylsulfanylmethyl)imidazolidine-2,4-dione
SMILESCCCSCC1NC(=O)NC1=O
InChIInChI=1S/C7H12N2O2S/c1-2-3-12-4-5-6(10)9-7(11)8-5/h5H,2-4H2,1H3,(H2,8,9,10,11)
InChIKeyHECJVYKVFYLMOO-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.34
Rot. Bonds4

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

5-(propylsulfanylmethyl)imidazolidine-2,4-dione (PubChem CID 560576) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 5-(propylsulfanylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(propylsulfanylmethyl)imidazolidine-2,4-dione
PubChem CID560576
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name5-(propylsulfanylmethyl)imidazolidine-2,4-dione
SMILESCCCSCC1NC(=O)NC1=O
InChIInChI=1S/C7H12N2O2S/c1-2-3-12-4-5-6(10)9-7(11)8-5/h5H,2-4H2,1H3,(H2,8,9,10,11)
InChIKeyHECJVYKVFYLMOO-UHFFFAOYSA-N
XLogP0.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.34
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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Related Compounds

5-(2-(Methylthio)ethyl)-2,4-imidazolidinedione
CID 567982
5-(2-Methylthioethyl)hydantoin
CID 114629
2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 4540304
(5S)-5-[2-(methylsulfanyl)ethyl]imidazolidine-2,4-dione
CID 1761667
5-(2-methylsulfanylethyl)-(411C)1,3-diazolidine-2,4-dione
CID 90678709
5-(2-Methanesulfonylethyl)imidazolidine-2,4-dione
CID 16226820
5-[(Methylsulfanyl)methyl]imidazolidine-2,4-dione
CID 173690
5-(Sulfanylmethyl)imidazolidine-2,4-dione
CID 274983
5-(Ethylsulfanylmethyl)imidazolidine-2,4-dione
CID 480241
2-Methyl-3-(1-(methylsulfanyl)propan-2-yl)imidazolidin-4-one
CID 116091498
[2-(2,5-Dioxoimidazolidin-4-yl)ethyl](dimethyl)sulfanium iodide
CID 24196428
(5R)-5-(ethylsulfinylmethyl)imidazolidine-2,4-dione
CID 480017

Frequently Asked Questions

What is the IUPAC name of 5-(propylsulfanylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(propylsulfanylmethyl)imidazolidine-2,4-dione (CID 560576) is 5-(propylsulfanylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(propylsulfanylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(propylsulfanylmethyl)imidazolidine-2,4-dione is CCCSCC1NC(=O)NC1=O.
What is the InChIKey of 5-(propylsulfanylmethyl)imidazolidine-2,4-dione?
The InChIKey is HECJVYKVFYLMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-2-3-12-4-5-6(10)9-7(11)8-5/h5H,2-4H2,1H3,(H2,8,9,10,11).
What are the key properties of 5-(propylsulfanylmethyl)imidazolidine-2,4-dione?
5-(propylsulfanylmethyl)imidazolidine-2,4-dione has a molecular weight of 188.25 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propylsulfanylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 560576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).