1-methyl-3-pyrrolidin-1-ylsulfanylimidazolidine-2,4-dione

C8H13N3O2S — CID 21418035

IUPAC1-methyl-3-pyrrolidin-1-ylsulfanylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(SN2CCCC2)C1=O
InChIInChI=1S/C8H13N3O2S/c1-9-6-7(12)11(8(9)13)14-10-4-2-3-5-10/h2-6H2,1H3
InChIKeyFYEXBVVIVDASEW-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.54
Rot. Bonds2

About 1-methyl-3-pyrrolidin-1-ylsulfanylimidazolidine-2,4-dione

1-methyl-3-pyrrolidin-1-ylsulfanylimidazolidine-2,4-dione (PubChem CID 21418035) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 1-methyl-3-pyrrolidin-1-ylsulfanylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-pyrrolidin-1-ylsulfanylimidazolidine-2,4-dione
PubChem CID21418035
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name1-methyl-3-pyrrolidin-1-ylsulfanylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(SN2CCCC2)C1=O
InChIInChI=1S/C8H13N3O2S/c1-9-6-7(12)11(8(9)13)14-10-4-2-3-5-10/h2-6H2,1H3
InChIKeyFYEXBVVIVDASEW-UHFFFAOYSA-N
XLogP0.54
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-methylsulfanylimidazolidine-2,4-dione
CID 170140676
1,3-dimethyl-1,3-diazepan-2-one
CID 27949
1,4,7-trimethyl-1,4,7-triazonane-2,5,8-trione
CID 71358039
1,3,5-trimethyl-1,3,5-triazepane-2,4,6-trione
CID 139515723
CID 174856842
CID 174856842
1-methyl-4-piperidin-1-ylpiperazin-2-one
CID 91056242
1-methyl-3-propan-2-ylimidazolidine-2,4-dione
CID 18669456
1-methyl-3-phosphorosoimidazolidine-2,4-dione
CID 130464004
1,3-dimethylimidazolidin-2-one;hydrate
CID 68782599
3-(azetidin-3-yl)-1-methylimidazolidine-2,4-dione
CID 83816103
1-methyl-3-(1-piperidin-1-ylbutyl)imidazolidine-2,4-dione
CID 70860856
argon;carbanide;1-methylpiperidin-2-one;yttrium
CID 162062562

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pyrrolidin-1-ylsulfanylimidazolidine-2,4-dione?
The IUPAC name of 1-methyl-3-pyrrolidin-1-ylsulfanylimidazolidine-2,4-dione (CID 21418035) is 1-methyl-3-pyrrolidin-1-ylsulfanylimidazolidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-pyrrolidin-1-ylsulfanylimidazolidine-2,4-dione?
The canonical SMILES for 1-methyl-3-pyrrolidin-1-ylsulfanylimidazolidine-2,4-dione is CN1CC(=O)N(SN2CCCC2)C1=O.
What is the InChIKey of 1-methyl-3-pyrrolidin-1-ylsulfanylimidazolidine-2,4-dione?
The InChIKey is FYEXBVVIVDASEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-9-6-7(12)11(8(9)13)14-10-4-2-3-5-10/h2-6H2,1H3.
What are the key properties of 1-methyl-3-pyrrolidin-1-ylsulfanylimidazolidine-2,4-dione?
1-methyl-3-pyrrolidin-1-ylsulfanylimidazolidine-2,4-dione has a molecular weight of 215.28 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pyrrolidin-1-ylsulfanylimidazolidine-2,4-dione is sourced from PubChem (CID 21418035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).