1-methyl-3-methylsulfanylimidazolidine-2,4-dione

C5H8N2O2S — CID 170140676

IUPAC1-methyl-3-methylsulfanylimidazolidine-2,4-dione
SMILESCSN1C(=O)CN(C)C1=O
InChIInChI=1S/C5H8N2O2S/c1-6-3-4(8)7(10-2)5(6)9/h3H2,1-2H3
InChIKeyHMTCFEMIQKADTL-UHFFFAOYSA-N
MW160.20 g/mol
LogP0.16
Rot. Bonds1

About 1-methyl-3-methylsulfanylimidazolidine-2,4-dione

1-methyl-3-methylsulfanylimidazolidine-2,4-dione (PubChem CID 170140676) has the molecular formula C5H8N2O2S and a molecular weight of 160.20 g/mol. Its IUPAC name is 1-methyl-3-methylsulfanylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-methylsulfanylimidazolidine-2,4-dione
PubChem CID170140676
Molecular FormulaC5H8N2O2S
Molecular Weight160.20 g/mol
Exact Mass160.03
IUPAC Name1-methyl-3-methylsulfanylimidazolidine-2,4-dione
SMILESCSN1C(=O)CN(C)C1=O
InChIInChI=1S/C5H8N2O2S/c1-6-3-4(8)7(10-2)5(6)9/h3H2,1-2H3
InChIKeyHMTCFEMIQKADTL-UHFFFAOYSA-N
XLogP0.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-pyrrolidin-1-ylsulfanylimidazolidine-2,4-dione
CID 21418035
1,4,7-trimethyl-1,4,7-triazonane-2,5,8-trione
CID 71358039
1-methyl-3-propan-2-ylimidazolidine-2,4-dione
CID 18669456
1,3,5-trimethyl-1,3,5-triazepane-2,4,6-trione
CID 139515723
1-methyl-3-phosphorosoimidazolidine-2,4-dione
CID 130464004
ethane;3-ethyl-1-methylimidazolidine-2,4-dione
CID 142101907
1,3-dimethylimidazolidine-2,4-dione;1,3-dimethyl-4-methylideneimidazolidin-2-one
CID 159940640
3-(2-fluoroethyl)-1-methylimidazolidine-2,4-dione
CID 127013693
9a-amino-2-methylsulfanyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrazine-1,3-dione
CID 142767791
1,3-dimethyl-2-sulfanylideneimidazolidin-4-one;ethane
CID 142135855
3-[1-(disulfanyl)propyl]-1-methylimidazolidine-2,4-dione
CID 175619867
3-(azetidin-3-yl)-1-methylimidazolidine-2,4-dione
CID 83816103

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-methylsulfanylimidazolidine-2,4-dione?
The IUPAC name of 1-methyl-3-methylsulfanylimidazolidine-2,4-dione (CID 170140676) is 1-methyl-3-methylsulfanylimidazolidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-methylsulfanylimidazolidine-2,4-dione?
The canonical SMILES for 1-methyl-3-methylsulfanylimidazolidine-2,4-dione is CSN1C(=O)CN(C)C1=O.
What is the InChIKey of 1-methyl-3-methylsulfanylimidazolidine-2,4-dione?
The InChIKey is HMTCFEMIQKADTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2S/c1-6-3-4(8)7(10-2)5(6)9/h3H2,1-2H3.
What are the key properties of 1-methyl-3-methylsulfanylimidazolidine-2,4-dione?
1-methyl-3-methylsulfanylimidazolidine-2,4-dione has a molecular weight of 160.20 g/mol, XLogP of 0.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-methylsulfanylimidazolidine-2,4-dione is sourced from PubChem (CID 170140676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).