5-methyl-1-(sulfanylmethyl)imidazolidine-2,4-dione

C5H8N2O2S — CID 141156271

IUPAC5-methyl-1-(sulfanylmethyl)imidazolidine-2,4-dione
SMILESCC1C(=O)NC(=O)N1CS
InChIInChI=1S/C5H8N2O2S/c1-3-4(8)6-5(9)7(3)2-10/h3,10H,2H2,1H3,(H,6,8,9)
InChIKeyCLIGTGHFIZNFIE-UHFFFAOYSA-N
MW160.20 g/mol
LogP-0.19
Rot. Bonds1

About 5-methyl-1-(sulfanylmethyl)imidazolidine-2,4-dione

5-methyl-1-(sulfanylmethyl)imidazolidine-2,4-dione (PubChem CID 141156271) has the molecular formula C5H8N2O2S and a molecular weight of 160.20 g/mol. Its IUPAC name is 5-methyl-1-(sulfanylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-(sulfanylmethyl)imidazolidine-2,4-dione
PubChem CID141156271
Molecular FormulaC5H8N2O2S
Molecular Weight160.20 g/mol
Exact Mass160.03
IUPAC Name5-methyl-1-(sulfanylmethyl)imidazolidine-2,4-dione
SMILESCC1C(=O)NC(=O)N1CS
InChIInChI=1S/C5H8N2O2S/c1-3-4(8)6-5(9)7(3)2-10/h3,10H,2H2,1H3,(H,6,8,9)
InChIKeyCLIGTGHFIZNFIE-UHFFFAOYSA-N
XLogP-0.19
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 5-0.19
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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Related Compounds

1-ethyl-5-methylimidazolidine-2,4-dione
CID 19007953
5-methyl-1-sulfanylimidazolidine-2,4-dione
CID 141156272
3-methyl-5-sulfanylpyrrolidine-2,4-dione
CID 141241085
(5R)-1-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione
CID 142664147
1-(2-methylpropyl)-5-sulfanylimidazolidine-2,4-dione
CID 87234225
1-butyl-5-(sulfanylmethyl)imidazolidine-2,4-dione
CID 87234204
3-cyclopropyl-1-ethyl-6-methylpiperazine-2,5-dione
CID 64885417
1-[(E)-but-2-enyl]-3-cyclopropyl-6-methylpiperazine-2,5-dione
CID 107898373
1-methyl-5-sulfanylimidazolidine-2,4-dione;propane
CID 174538671
6-bromo-4-ethyl-3-methyl-1,3-dihydroquinoxalin-2-one
CID 115095687
1-[(E)-but-2-enyl]-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 107898302
7-chloro-4-ethyl-3-methyl-1,3-dihydroquinoxalin-2-one
CID 115095619

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(sulfanylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-1-(sulfanylmethyl)imidazolidine-2,4-dione (CID 141156271) is 5-methyl-1-(sulfanylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-(sulfanylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-1-(sulfanylmethyl)imidazolidine-2,4-dione is CC1C(=O)NC(=O)N1CS.
What is the InChIKey of 5-methyl-1-(sulfanylmethyl)imidazolidine-2,4-dione?
The InChIKey is CLIGTGHFIZNFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2S/c1-3-4(8)6-5(9)7(3)2-10/h3,10H,2H2,1H3,(H,6,8,9).
What are the key properties of 5-methyl-1-(sulfanylmethyl)imidazolidine-2,4-dione?
5-methyl-1-(sulfanylmethyl)imidazolidine-2,4-dione has a molecular weight of 160.20 g/mol, XLogP of -0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(sulfanylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 141156271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).