5,5-dimethyl-1-(2-methylsulfinylethyl)imidazolidine-2,4-dione

C8H14N2O3S — CID 130942808

IUPAC5,5-dimethyl-1-(2-methylsulfinylethyl)imidazolidine-2,4-dione
SMILESCS(=O)CCN1C(=O)NC(=O)C1(C)C
InChIInChI=1S/C8H14N2O3S/c1-8(2)6(11)9-7(12)10(8)4-5-14(3)13/h4-5H2,1-3H3,(H,9,11,12)
InChIKeyVBGJURLQLJQUIE-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.30
Rot. Bonds3

About 5,5-dimethyl-1-(2-methylsulfinylethyl)imidazolidine-2,4-dione

5,5-dimethyl-1-(2-methylsulfinylethyl)imidazolidine-2,4-dione (PubChem CID 130942808) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is 5,5-dimethyl-1-(2-methylsulfinylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-1-(2-methylsulfinylethyl)imidazolidine-2,4-dione
PubChem CID130942808
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC Name5,5-dimethyl-1-(2-methylsulfinylethyl)imidazolidine-2,4-dione
SMILESCS(=O)CCN1C(=O)NC(=O)C1(C)C
InChIInChI=1S/C8H14N2O3S/c1-8(2)6(11)9-7(12)10(8)4-5-14(3)13/h4-5H2,1-3H3,(H,9,11,12)
InChIKeyVBGJURLQLJQUIE-UHFFFAOYSA-N
XLogP-0.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,5-dimethyl-1-(2-propoxyethyl)imidazolidine-2,4-dione
CID 106458142
1-(3-methoxy-3-methylbutyl)-5,5-dimethylimidazolidine-2,4-dione
CID 103037387
5,5-dimethyl-1-prop-2-enylimidazolidine-2,4-dione
CID 59116103
CID 67925805
CID 67925805
5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione;propan-2-ol
CID 158725431
1-[(1-fluoro-4-oxocyclohexyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 171536643
3-cyclopropyl-3-methyl-1-(2-methylsulfinylethyl)piperazine-2,5-dione
CID 113480612
5,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]imidazolidine-2,4-dione
CID 103140373
2-[[2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 119188440
3,7-diethyl-1,6,6-trimethyl-4H-pyrazolo[4,5-b]pyrazin-5-one
CID 79300576
3-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methyl]-2-fluorobenzonitrile
CID 107119968
3-ethyl-1-(2-fluoroethyl)-6,6-dimethylpiperazine-2,5-dione
CID 80696451

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-(2-methylsulfinylethyl)imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-1-(2-methylsulfinylethyl)imidazolidine-2,4-dione (CID 130942808) is 5,5-dimethyl-1-(2-methylsulfinylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-1-(2-methylsulfinylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-1-(2-methylsulfinylethyl)imidazolidine-2,4-dione is CS(=O)CCN1C(=O)NC(=O)C1(C)C.
What is the InChIKey of 5,5-dimethyl-1-(2-methylsulfinylethyl)imidazolidine-2,4-dione?
The InChIKey is VBGJURLQLJQUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c1-8(2)6(11)9-7(12)10(8)4-5-14(3)13/h4-5H2,1-3H3,(H,9,11,12).
What are the key properties of 5,5-dimethyl-1-(2-methylsulfinylethyl)imidazolidine-2,4-dione?
5,5-dimethyl-1-(2-methylsulfinylethyl)imidazolidine-2,4-dione has a molecular weight of 218.28 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-(2-methylsulfinylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 130942808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).