1-(2-methoxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione

C8H13NO3S — CID 59656289

IUPAC1-(2-methoxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione
SMILESCOCCN1C(=O)CC(SC)C1=O
InChIInChI=1S/C8H13NO3S/c1-12-4-3-9-7(10)5-6(13-2)8(9)11/h6H,3-5H2,1-2H3
InChIKeyKKKQKKKTIVOKTB-UHFFFAOYSA-N
MW203.26 g/mol
LogP0.12
Rot. Bonds4

About 1-(2-methoxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione

1-(2-methoxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione (PubChem CID 59656289) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione
PubChem CID59656289
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name1-(2-methoxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione
SMILESCOCCN1C(=O)CC(SC)C1=O
InChIInChI=1S/C8H13NO3S/c1-12-4-3-9-7(10)5-6(13-2)8(9)11/h6H,3-5H2,1-2H3
InChIKeyKKKQKKKTIVOKTB-UHFFFAOYSA-N
XLogP0.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-Ethoxyethyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite
CID 59335524
N-succinyl-S-acetylcysteamine
CID 129713559
3-[(3S)-3-ethylsulfanylbutanoyl]-1,3-oxazolidin-2-one
CID 134995112
3-[(3R)-3-butylsulfanylbutanoyl]-1,3-oxazolidin-2-one
CID 164683865
1-Butyl-3-(butylsulfanyl)pyrrolidine-2,5-dione
CID 426442
S-[(3R)-1-acetyl-5-oxopyrrolidin-3-yl] ethanethioate
CID 11074432
1-(3-Methylsulfanylpropyl)pyrrolidine-2,5-dione
CID 12397954
1-Methyl-3-propan-2-ylsulfanylpyrrolidine-2,5-dione
CID 14641680
S-(1-acetyl-5-oxopyrrolidin-3-yl) ethanethioate
CID 15291675
3-Methylsulfanyl-1-propan-2-ylpyrrolidine-2,5-dione
CID 20777967
1-(2-Ethoxyethyl)-3-sulfanylpyrrolidin-2-one
CID 23652098
1-(2-Methoxyethyl)-3-sulfanylpyrrolidin-2-one
CID 23652257

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2-methoxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione (CID 59656289) is 1-(2-methoxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-methoxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-methoxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione is COCCN1C(=O)CC(SC)C1=O.
What is the InChIKey of 1-(2-methoxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione?
The InChIKey is KKKQKKKTIVOKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-12-4-3-9-7(10)5-6(13-2)8(9)11/h6H,3-5H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione?
1-(2-methoxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione has a molecular weight of 203.26 g/mol, XLogP of 0.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 59656289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).