3-(2-methylsulfanylcyclohexyl)imidazolidine-2,4-dione

C10H16N2O2S — CID 103936507

IUPAC3-(2-methylsulfanylcyclohexyl)imidazolidine-2,4-dione
SMILESCSC1CCCCC1N1C(=O)CNC1=O
InChIInChI=1S/C10H16N2O2S/c1-15-8-5-3-2-4-7(8)12-9(13)6-11-10(12)14/h7-8H,2-6H2,1H3,(H,11,14)
InChIKeyBJYMHSJSRNLSCN-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.21
Rot. Bonds2

About 3-(2-methylsulfanylcyclohexyl)imidazolidine-2,4-dione

3-(2-methylsulfanylcyclohexyl)imidazolidine-2,4-dione (PubChem CID 103936507) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 3-(2-methylsulfanylcyclohexyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-methylsulfanylcyclohexyl)imidazolidine-2,4-dione
PubChem CID103936507
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name3-(2-methylsulfanylcyclohexyl)imidazolidine-2,4-dione
SMILESCSC1CCCCC1N1C(=O)CNC1=O
InChIInChI=1S/C10H16N2O2S/c1-15-8-5-3-2-4-7(8)12-9(13)6-11-10(12)14/h7-8H,2-6H2,1H3,(H,11,14)
InChIKeyBJYMHSJSRNLSCN-UHFFFAOYSA-N
XLogP1.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.21
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

3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazolidine-2,4-dione
CID 103936509
3-[2-(aminomethyl)-5-methylcyclohexyl]imidazolidine-2,4-dione
CID 43428498
3,3-dimethyl-1-(2-methylsulfanylcyclopentyl)piperazine-2,5-dione
CID 114121786
3-[1-(cyclopentanecarbonyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121159463
3,6-dimethyl-1-(2-methylsulfanylcyclopentyl)piperazine-2,5-dione
CID 114121775
3-(1,1-dioxothian-3-yl)imidazolidine-2,4-dione
CID 103936410
2-(2,5-dioxoimidazolidin-1-yl)-1-methylcyclopentane-1-carboxylic acid
CID 107842077
3-(3-aminocyclopentyl)imidazolidine-2,4-dione
CID 83817207
3-[1-(1-cyclopropylethyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121183992
3-[1-(cyclohexylmethyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121184004
3-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159907
3-[(3R)-1,1-dioxothiolan-3-yl]imidazolidine-2,4-dione
CID 51721408

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfanylcyclohexyl)imidazolidine-2,4-dione?
The IUPAC name of 3-(2-methylsulfanylcyclohexyl)imidazolidine-2,4-dione (CID 103936507) is 3-(2-methylsulfanylcyclohexyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-methylsulfanylcyclohexyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(2-methylsulfanylcyclohexyl)imidazolidine-2,4-dione is CSC1CCCCC1N1C(=O)CNC1=O.
What is the InChIKey of 3-(2-methylsulfanylcyclohexyl)imidazolidine-2,4-dione?
The InChIKey is BJYMHSJSRNLSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-15-8-5-3-2-4-7(8)12-9(13)6-11-10(12)14/h7-8H,2-6H2,1H3,(H,11,14).
What are the key properties of 3-(2-methylsulfanylcyclohexyl)imidazolidine-2,4-dione?
3-(2-methylsulfanylcyclohexyl)imidazolidine-2,4-dione has a molecular weight of 228.32 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfanylcyclohexyl)imidazolidine-2,4-dione is sourced from PubChem (CID 103936507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).