3-methyl-1-(5-methylthiolan-3-yl)pyrrole-2,5-dione

C10H13NO2S — CID 130791778

IUPAC3-methyl-1-(5-methylthiolan-3-yl)pyrrole-2,5-dione
SMILESCC1=CC(=O)N(C2CSC(C)C2)C1=O
InChIInChI=1S/C10H13NO2S/c1-6-3-9(12)11(10(6)13)8-4-7(2)14-5-8/h3,7-8H,4-5H2,1-2H3
InChIKeyOJMRJSNHSRETLN-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.20
Rot. Bonds1

About 3-methyl-1-(5-methylthiolan-3-yl)pyrrole-2,5-dione

3-methyl-1-(5-methylthiolan-3-yl)pyrrole-2,5-dione (PubChem CID 130791778) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 3-methyl-1-(5-methylthiolan-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(5-methylthiolan-3-yl)pyrrole-2,5-dione
PubChem CID130791778
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name3-methyl-1-(5-methylthiolan-3-yl)pyrrole-2,5-dione
SMILESCC1=CC(=O)N(C2CSC(C)C2)C1=O
InChIInChI=1S/C10H13NO2S/c1-6-3-9(12)11(10(6)13)8-4-7(2)14-5-8/h3,7-8H,4-5H2,1-2H3
InChIKeyOJMRJSNHSRETLN-UHFFFAOYSA-N
XLogP1.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methyl-1-(5-methylthiolan-3-yl)pyrrole-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

1-cyclooctyl-3-methylpyrrole-2,5-dione
CID 43236233
3-methyl-1-(1-methylazetidin-3-yl)pyrrole-2,5-dione
CID 131183418
1-(4-hydroxycyclohexyl)-3-methylpyrrole-2,5-dione
CID 43346034
3-methyl-1-[4-(methylamino)cyclohexyl]pyrrole-2,5-dione
CID 79110657
3-methyl-1-piperidin-3-ylpyrrole-2,5-dione
CID 63318859
1-(1,1-dioxothian-3-yl)-3-methylpyrrole-2,5-dione
CID 63921778
3-methyl-1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione
CID 60976530
3-amino-1-(5-methylthiolan-3-yl)piperidin-2-one
CID 131062299
3-methyl-1-(5-methylthiolan-3-yl)piperidin-4-one
CID 130899222
1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-methylpyrrole-2,5-dione
CID 66212292
[1-(5-methylthiolan-3-yl)piperidin-4-yl]methanamine
CID 79949423
1-(5-methylthiolan-3-yl)pyrrolidin-2-imine
CID 131000652

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(5-methylthiolan-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-(5-methylthiolan-3-yl)pyrrole-2,5-dione (CID 130791778) is 3-methyl-1-(5-methylthiolan-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-(5-methylthiolan-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-(5-methylthiolan-3-yl)pyrrole-2,5-dione is CC1=CC(=O)N(C2CSC(C)C2)C1=O.
What is the InChIKey of 3-methyl-1-(5-methylthiolan-3-yl)pyrrole-2,5-dione?
The InChIKey is OJMRJSNHSRETLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-6-3-9(12)11(10(6)13)8-4-7(2)14-5-8/h3,7-8H,4-5H2,1-2H3.
What are the key properties of 3-methyl-1-(5-methylthiolan-3-yl)pyrrole-2,5-dione?
3-methyl-1-(5-methylthiolan-3-yl)pyrrole-2,5-dione has a molecular weight of 211.29 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(5-methylthiolan-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 130791778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).