3-ethylsulfanyl-1-methylpyrrolidine-2,5-dione

C7H11NO2S — CID 22894547

IUPAC3-ethylsulfanyl-1-methylpyrrolidine-2,5-dione
SMILESCCSC1CC(=O)N(C)C1=O
InChIInChI=1S/C7H11NO2S/c1-3-11-5-4-6(9)8(2)7(5)10/h5H,3-4H2,1-2H3
InChIKeyGTRBXOUAROMDFJ-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.50
Rot. Bonds2

About 3-ethylsulfanyl-1-methylpyrrolidine-2,5-dione

3-ethylsulfanyl-1-methylpyrrolidine-2,5-dione (PubChem CID 22894547) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 3-ethylsulfanyl-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-ethylsulfanyl-1-methylpyrrolidine-2,5-dione
PubChem CID22894547
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name3-ethylsulfanyl-1-methylpyrrolidine-2,5-dione
SMILESCCSC1CC(=O)N(C)C1=O
InChIInChI=1S/C7H11NO2S/c1-3-11-5-4-6(9)8(2)7(5)10/h5H,3-4H2,1-2H3
InChIKeyGTRBXOUAROMDFJ-UHFFFAOYSA-N
XLogP0.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,5-Dioxopyrrolidin-1-yl)but-2-ynyl-dimethylsulfanium chloride
CID 45266300
3,3'-Sulfanediylbis(1-ethylpyrrolidine-2,5-dione)
CID 270424
S-(1-Methyl-2,5-dioxopyrrolidin-3-yl) ethanethioate
CID 3056964
3-[(2-Aminoethyl)sulfanyl]-1-ethylpyrrolidine-2,5-dione
CID 43638417
1-Methyl-3-methylsulfanylpyrrolidine-2,5-dione
CID 15305425
N,N-dimethyl-5-oxothiolane-3-carboxamide
CID 15029729
2,5-Pyrrolidinedione, 3-mercapto-1-methyl-
CID 21153386
1-Ethyl-3-sulfanylpyrrolidine-2,5-dione
CID 59818988
1-[2-(Ethylthio)ethyl]-2-pyrrolidinone
CID 20458704
1-(2-Sulfanylethyl)pyrrolidine-2,5-dione
CID 22016357
1-(Fluoromethyl)-3-methylsulfanylpyrrolidine-2,5-dione
CID 139393627
(1-Methyl-2,5-dioxopyrrolidin-3-yl) thiohypofluorite
CID 155439833

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-ethylsulfanyl-1-methylpyrrolidine-2,5-dione (CID 22894547) is 3-ethylsulfanyl-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-ethylsulfanyl-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-ethylsulfanyl-1-methylpyrrolidine-2,5-dione is CCSC1CC(=O)N(C)C1=O.
What is the InChIKey of 3-ethylsulfanyl-1-methylpyrrolidine-2,5-dione?
The InChIKey is GTRBXOUAROMDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-3-11-5-4-6(9)8(2)7(5)10/h5H,3-4H2,1-2H3.
What are the key properties of 3-ethylsulfanyl-1-methylpyrrolidine-2,5-dione?
3-ethylsulfanyl-1-methylpyrrolidine-2,5-dione has a molecular weight of 173.24 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 22894547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).