ethane;1-methyl-3-(methyldisulfanyl)pyrrolidine-2,5-dione

C8H15NO2S2 — CID 176950350

IUPACethane;1-methyl-3-(methyldisulfanyl)pyrrolidine-2,5-dione
SMILESCC.CSSC1CC(=O)N(C)C1=O
InChIInChI=1S/C6H9NO2S2.C2H6/c1-7-5(8)3-4(6(7)9)11-10-2;1-2/h4H,3H2,1-2H3;1-2H3
InChIKeyPXILUGBWGOHECV-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.78
Rot. Bonds2

About ethane;1-methyl-3-(methyldisulfanyl)pyrrolidine-2,5-dione

ethane;1-methyl-3-(methyldisulfanyl)pyrrolidine-2,5-dione (PubChem CID 176950350) has the molecular formula C8H15NO2S2 and a molecular weight of 221.35 g/mol. Its IUPAC name is ethane;1-methyl-3-(methyldisulfanyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Nameethane;1-methyl-3-(methyldisulfanyl)pyrrolidine-2,5-dione
PubChem CID176950350
Molecular FormulaC8H15NO2S2
Molecular Weight221.35 g/mol
Exact Mass221.05
IUPAC Nameethane;1-methyl-3-(methyldisulfanyl)pyrrolidine-2,5-dione
SMILESCC.CSSC1CC(=O)N(C)C1=O
InChIInChI=1S/C6H9NO2S2.C2H6/c1-7-5(8)3-4(6(7)9)11-10-2;1-2/h4H,3H2,1-2H3;1-2H3
InChIKeyPXILUGBWGOHECV-UHFFFAOYSA-N
XLogP1.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane;1-methyl-3-(methyldisulfanyl)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

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-(methyldisulfanyl)pyrrolidine-2,5-dione?
The IUPAC name of ethane;1-methyl-3-(methyldisulfanyl)pyrrolidine-2,5-dione (CID 176950350) is ethane;1-methyl-3-(methyldisulfanyl)pyrrolidine-2,5-dione.
What is the SMILES notation for ethane;1-methyl-3-(methyldisulfanyl)pyrrolidine-2,5-dione?
The canonical SMILES for ethane;1-methyl-3-(methyldisulfanyl)pyrrolidine-2,5-dione is CC.CSSC1CC(=O)N(C)C1=O.
What is the InChIKey of ethane;1-methyl-3-(methyldisulfanyl)pyrrolidine-2,5-dione?
The InChIKey is PXILUGBWGOHECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S2.C2H6/c1-7-5(8)3-4(6(7)9)11-10-2;1-2/h4H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;1-methyl-3-(methyldisulfanyl)pyrrolidine-2,5-dione?
ethane;1-methyl-3-(methyldisulfanyl)pyrrolidine-2,5-dione has a molecular weight of 221.35 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-(methyldisulfanyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 176950350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).