About (3R)-3-sulfanylpyrrolidine-2,5-dione
(3R)-3-sulfanylpyrrolidine-2,5-dione (PubChem CID 129075253) has the molecular formula C4H5NO2S
and a molecular weight of 131.16 g/mol. Its IUPAC name is (3R)-3-sulfanylpyrrolidine-2,5-dione.
Molecular Properties
| Compound Name | (3R)-3-sulfanylpyrrolidine-2,5-dione |
|---|
| PubChem CID | 129075253 |
|---|
| Molecular Formula | C4H5NO2S |
|---|
| Molecular Weight | 131.16 g/mol |
|---|
| Exact Mass | 131.00 |
|---|
| IUPAC Name | (3R)-3-sulfanylpyrrolidine-2,5-dione |
|---|
| SMILES | O=C1C[C@@H](S)C(=O)N1 |
|---|
| InChI | InChI=1S/C4H5NO2S/c6-3-1-2(8)4(7)5-3/h2,8H,1H2,(H,5,6,7)/t2-/m1/s1 |
|---|
| InChIKey | PCLITYPZCQBLAC-UWTATZPHSA-N |
|---|
| XLogP | -0.67 |
|---|
| TPSA | 46.17 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 3 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 8 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 131.16 |
| LogP ≤ 5 | -0.67 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'} |
|---|
Analyze (3R)-3-sulfanylpyrrolidine-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 (3R)-3-sulfanylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-sulfanylpyrrolidine-2,5-dione (CID 129075253) is (3R)-3-sulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-sulfanylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-sulfanylpyrrolidine-2,5-dione is O=C1C[C@@H](S)C(=O)N1.
What is the InChIKey of (3R)-3-sulfanylpyrrolidine-2,5-dione?
The InChIKey is PCLITYPZCQBLAC-UWTATZPHSA-N. The full InChI is InChI=1S/C4H5NO2S/c6-3-1-2(8)4(7)5-3/h2,8H,1H2,(H,5,6,7)/t2-/m1/s1.
What are the key properties of (3R)-3-sulfanylpyrrolidine-2,5-dione?
(3R)-3-sulfanylpyrrolidine-2,5-dione has a molecular weight of 131.16 g/mol, XLogP of -0.67, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-sulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 129075253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).