About 4-(pyrazolidin-4-yldisulfanyl)pyrazolidine
4-(pyrazolidin-4-yldisulfanyl)pyrazolidine (PubChem CID 10612683) has the molecular formula C6H14N4S2
and a molecular weight of 206.34 g/mol. Its IUPAC name is 4-(pyrazolidin-4-yldisulfanyl)pyrazolidine.
Molecular Properties
| Compound Name | 4-(pyrazolidin-4-yldisulfanyl)pyrazolidine |
| PubChem CID | 10612683 |
| Molecular Formula | C6H14N4S2 |
| Molecular Weight | 206.34 g/mol |
| Exact Mass | 206.07 |
| IUPAC Name | 4-(pyrazolidin-4-yldisulfanyl)pyrazolidine |
| SMILES | C1NNCC1SSC1CNNC1 |
| InChI | InChI=1S/C6H14N4S2/c1-5(2-8-7-1)11-12-6-3-9-10-4-6/h5-10H,1-4H2 |
| InChIKey | PZQFNHCUCKACDL-UHFFFAOYSA-N |
| XLogP | -0.68 |
| TPSA | 48.12 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 12 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 206.34 |
| LogP ≤ 5 | -0.68 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'disulphide', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 4-(pyrazolidin-4-yldisulfanyl)pyrazolidine?
The IUPAC name of 4-(pyrazolidin-4-yldisulfanyl)pyrazolidine (CID 10612683) is 4-(pyrazolidin-4-yldisulfanyl)pyrazolidine.
What is the SMILES notation for 4-(pyrazolidin-4-yldisulfanyl)pyrazolidine?
The canonical SMILES for 4-(pyrazolidin-4-yldisulfanyl)pyrazolidine is C1NNCC1SSC1CNNC1.
What is the InChIKey of 4-(pyrazolidin-4-yldisulfanyl)pyrazolidine?
The InChIKey is PZQFNHCUCKACDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4S2/c1-5(2-8-7-1)11-12-6-3-9-10-4-6/h5-10H,1-4H2.
What are the key properties of 4-(pyrazolidin-4-yldisulfanyl)pyrazolidine?
4-(pyrazolidin-4-yldisulfanyl)pyrazolidine has a molecular weight of 206.34 g/mol, XLogP of -0.68, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrazolidin-4-yldisulfanyl)pyrazolidine is sourced from PubChem (CID 10612683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).