1-ethyl-3-methylsulfanylpyrrolidine-2,5-dione;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione;N-[(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)methyl]acetamide;3-methylsulfanyl-1-(2-oxopropyl)pyrrolidine-2,5-dione

C29H43N5O10S4 — CID 159615152

IUPAC1-ethyl-3-methylsulfanylpyrrolidine-2,5-dione;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione;N-[(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)methyl]acetamide;3-methylsulfanyl-1-(2-oxopropyl)pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(SC)C1=O.CSC1CC(=O)N(C)C1=O.CSC1CC(=O)N(CC(C)=O)C1=O.CSC1CC(=O)N(CNC(C)=O)C1=O
InChIInChI=1S/C8H12N2O3S.C8H11NO3S.C7H11NO2S.C6H9NO2S/c1-5(11)9-4-10-7(12)3-6(14-2)8(10)13;1-5(10)4-9-7(11)3-6(13-2)8(9)12;1-3-8-6(9)4-5(11-2)7(8)10;1-7-5(8)3-4(10-2)6(7)9/h6H,3-4H2,1-2H3,(H,9,11);6H,3-4H2,1-2H3;5H,3-4H2,1-2H3;4H,3H2,1-2H3
InChIKeyMNEPXOWNDLPKJP-UHFFFAOYSA-N
MW749.96 g/mol
LogP0.24
Rot. Bonds9

About 1-ethyl-3-methylsulfanylpyrrolidine-2,5-dione;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione;N-[(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)methyl]acetamide;3-methylsulfanyl-1-(2-oxopropyl)pyrrolidine-2,5-dione

1-ethyl-3-methylsulfanylpyrrolidine-2,5-dione;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione;N-[(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)methyl]acetamide;3-methylsulfanyl-1-(2-oxopropyl)pyrrolidine-2,5-dione (PubChem CID 159615152) has the molecular formula C29H43N5O10S4 and a molecular weight of 749.96 g/mol. Its IUPAC name is 1-ethyl-3-methylsulfanylpyrrolidine-2,5-dione;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione;N-[(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)methyl]acetamide;3-methylsulfanyl-1-(2-oxopropyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-methylsulfanylpyrrolidine-2,5-dione;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione;N-[(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)methyl]acetamide;3-methylsulfanyl-1-(2-oxopropyl)pyrrolidine-2,5-dione
PubChem CID159615152
Molecular FormulaC29H43N5O10S4
Molecular Weight749.96 g/mol
Exact Mass749.19
IUPAC Name1-ethyl-3-methylsulfanylpyrrolidine-2,5-dione;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione;N-[(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)methyl]acetamide;3-methylsulfanyl-1-(2-oxopropyl)pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(SC)C1=O.CSC1CC(=O)N(C)C1=O.CSC1CC(=O)N(CC(C)=O)C1=O.CSC1CC(=O)N(CNC(C)=O)C1=O
InChIInChI=1S/C8H12N2O3S.C8H11NO3S.C7H11NO2S.C6H9NO2S/c1-5(11)9-4-10-7(12)3-6(14-2)8(10)13;1-5(10)4-9-7(11)3-6(13-2)8(9)12;1-3-8-6(9)4-5(11-2)7(8)10;1-7-5(8)3-4(10-2)6(7)9/h6H,3-4H2,1-2H3,(H,9,11);6H,3-4H2,1-2H3;5H,3-4H2,1-2H3;4H,3H2,1-2H3
InChIKeyMNEPXOWNDLPKJP-UHFFFAOYSA-N
XLogP0.24
TPSA195.69 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.96
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-methylsulfanylpyrrolidine-2,5-dione;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione;N-[(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)methyl]acetamide;3-methylsulfanyl-1-(2-oxopropyl)pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(1-ethyl-3-methylsulfanylpyrrolidine-2,5-dione);1-ethylpyrrole-2,5-dione;methanethiol
CID 161259143
1-butyl-3-methylsulfanylpyrrolidine-2,5-dione
CID 58493179
1-(2-ethoxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione
CID 58841262
ethane;1-heptyl-3-methylsulfanylpyrrolidine-2,5-dione
CID 142573296
3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 122418919
3-methylsulfanyl-1-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrrolidine-2,5-dione
CID 159429749
N-[(3R)-2,5-dioxo-1-(2-oxopropyl)pyrrolidin-3-yl]acetamide
CID 161407996
1-[(4-acetylcyclohexyl)methyl]-3-methylsulfanylpyrrolidine-2,5-dione
CID 18711322
N-(2-ethylsulfonylethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 118362321
1-(fluoromethyl)-3-methylsulfanylpyrrolidine-2,5-dione
CID 139393627
3-hydroxy-N-[5-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-2-oxopentyl]propanamide
CID 58571174
N-[3-(ethylamino)propyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 148839265

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methylsulfanylpyrrolidine-2,5-dione;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione;N-[(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)methyl]acetamide;3-methylsulfanyl-1-(2-oxopropyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-ethyl-3-methylsulfanylpyrrolidine-2,5-dione;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione;N-[(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)methyl]acetamide;3-methylsulfanyl-1-(2-oxopropyl)pyrrolidine-2,5-dione (CID 159615152) is 1-ethyl-3-methylsulfanylpyrrolidine-2,5-dione;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione;N-[(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)methyl]acetamide;3-methylsulfanyl-1-(2-oxopropyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-ethyl-3-methylsulfanylpyrrolidine-2,5-dione;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione;N-[(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)methyl]acetamide;3-methylsulfanyl-1-(2-oxopropyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-ethyl-3-methylsulfanylpyrrolidine-2,5-dione;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione;N-[(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)methyl]acetamide;3-methylsulfanyl-1-(2-oxopropyl)pyrrolidine-2,5-dione is CCN1C(=O)CC(SC)C1=O.CSC1CC(=O)N(C)C1=O.CSC1CC(=O)N(CC(C)=O)C1=O.CSC1CC(=O)N(CNC(C)=O)C1=O.
What is the InChIKey of 1-ethyl-3-methylsulfanylpyrrolidine-2,5-dione;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione;N-[(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)methyl]acetamide;3-methylsulfanyl-1-(2-oxopropyl)pyrrolidine-2,5-dione?
The InChIKey is MNEPXOWNDLPKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S.C8H11NO3S.C7H11NO2S.C6H9NO2S/c1-5(11)9-4-10-7(12)3-6(14-2)8(10)13;1-5(10)4-9-7(11)3-6(13-2)8(9)12;1-3-8-6(9)4-5(11-2)7(8)10;1-7-5(8)3-4(10-2)6(7)9/h6H,3-4H2,1-2H3,(H,9,11);6H,3-4H2,1-2H3;5H,3-4H2,1-2H3;4H,3H2,1-2H3.
What are the key properties of 1-ethyl-3-methylsulfanylpyrrolidine-2,5-dione;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione;N-[(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)methyl]acetamide;3-methylsulfanyl-1-(2-oxopropyl)pyrrolidine-2,5-dione?
1-ethyl-3-methylsulfanylpyrrolidine-2,5-dione;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione;N-[(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)methyl]acetamide;3-methylsulfanyl-1-(2-oxopropyl)pyrrolidine-2,5-dione has a molecular weight of 749.96 g/mol, XLogP of 0.24, 9 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylsulfanylpyrrolidine-2,5-dione;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione;N-[(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)methyl]acetamide;3-methylsulfanyl-1-(2-oxopropyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 159615152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).