5-methyl-3-(2-methylpropyl)-5-(sulfanylmethyl)imidazolidine-2,4-dione

C9H16N2O2S — CID 87234369

IUPAC5-methyl-3-(2-methylpropyl)-5-(sulfanylmethyl)imidazolidine-2,4-dione
SMILESCC(C)CN1C(=O)NC(C)(CS)C1=O
InChIInChI=1S/C9H16N2O2S/c1-6(2)4-11-7(12)9(3,5-14)10-8(11)13/h6,14H,4-5H2,1-3H3,(H,10,13)
InChIKeyHYOJWISBAPJHLL-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.88
Rot. Bonds3

About 5-methyl-3-(2-methylpropyl)-5-(sulfanylmethyl)imidazolidine-2,4-dione

5-methyl-3-(2-methylpropyl)-5-(sulfanylmethyl)imidazolidine-2,4-dione (PubChem CID 87234369) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 5-methyl-3-(2-methylpropyl)-5-(sulfanylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-(2-methylpropyl)-5-(sulfanylmethyl)imidazolidine-2,4-dione
PubChem CID87234369
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name5-methyl-3-(2-methylpropyl)-5-(sulfanylmethyl)imidazolidine-2,4-dione
SMILESCC(C)CN1C(=O)NC(C)(CS)C1=O
InChIInChI=1S/C9H16N2O2S/c1-6(2)4-11-7(12)9(3,5-14)10-8(11)13/h6,14H,4-5H2,1-3H3,(H,10,13)
InChIKeyHYOJWISBAPJHLL-UHFFFAOYSA-N
XLogP0.88
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.88
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

5-methyl-3-propyl-5-(sulfanylmethyl)imidazolidine-2,4-dione
CID 87234072
3-(2-aminopropyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 18070377
3-(2,2-diethoxyethyl)-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 75511262
3-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 111476310
(5R)-5-methyl-3-(2-methylpropyl)-5-thiophen-2-ylimidazolidine-2,4-dione
CID 92579088
2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile
CID 7180691
8-ethyl-3-(2-methylpropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7568235
3-(cyclohexylmethyl)-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 112774076
2-[2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]ethyl]isoindole-1,3-dione
CID 2583395
N-[(4R)-1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide
CID 7044498
(5R)-3-benzyl-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 7180689
3-(2-aminobutyl)-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 82148488

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-methylpropyl)-5-(sulfanylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-3-(2-methylpropyl)-5-(sulfanylmethyl)imidazolidine-2,4-dione (CID 87234369) is 5-methyl-3-(2-methylpropyl)-5-(sulfanylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-(2-methylpropyl)-5-(sulfanylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-3-(2-methylpropyl)-5-(sulfanylmethyl)imidazolidine-2,4-dione is CC(C)CN1C(=O)NC(C)(CS)C1=O.
What is the InChIKey of 5-methyl-3-(2-methylpropyl)-5-(sulfanylmethyl)imidazolidine-2,4-dione?
The InChIKey is HYOJWISBAPJHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-6(2)4-11-7(12)9(3,5-14)10-8(11)13/h6,14H,4-5H2,1-3H3,(H,10,13).
What are the key properties of 5-methyl-3-(2-methylpropyl)-5-(sulfanylmethyl)imidazolidine-2,4-dione?
5-methyl-3-(2-methylpropyl)-5-(sulfanylmethyl)imidazolidine-2,4-dione has a molecular weight of 216.31 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-methylpropyl)-5-(sulfanylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 87234369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).