About 2-sulfanyl-2,8-diazaspiro[4.5]decane
2-sulfanyl-2,8-diazaspiro[4.5]decane (PubChem CID 123386358) has the molecular formula C8H16N2S
and a molecular weight of 172.30 g/mol. Its IUPAC name is 2-sulfanyl-2,8-diazaspiro[4.5]decane.
Molecular Properties
| Compound Name | 2-sulfanyl-2,8-diazaspiro[4.5]decane |
|---|
| PubChem CID | 123386358 |
|---|
| Molecular Formula | C8H16N2S |
|---|
| Molecular Weight | 172.30 g/mol |
|---|
| Exact Mass | 172.10 |
|---|
| IUPAC Name | 2-sulfanyl-2,8-diazaspiro[4.5]decane |
|---|
| SMILES | SN1CCC2(CCNCC2)C1 |
|---|
| InChI | InChI=1S/C8H16N2S/c11-10-6-3-8(7-10)1-4-9-5-2-8/h9,11H,1-7H2 |
|---|
| InChIKey | BMAQEOGLTMUKEY-UHFFFAOYSA-N |
|---|
| XLogP | 0.91 |
|---|
| TPSA | 15.27 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 3 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 11 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 172.30 |
| LogP ≤ 5 | 0.91 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'thiol_2', 'substructure': 'N/A'} |
|---|
Analyze 2-sulfanyl-2,8-diazaspiro[4.5]decane 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 2-sulfanyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-sulfanyl-2,8-diazaspiro[4.5]decane (CID 123386358) is 2-sulfanyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-sulfanyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-sulfanyl-2,8-diazaspiro[4.5]decane is SN1CCC2(CCNCC2)C1.
What is the InChIKey of 2-sulfanyl-2,8-diazaspiro[4.5]decane?
The InChIKey is BMAQEOGLTMUKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c11-10-6-3-8(7-10)1-4-9-5-2-8/h9,11H,1-7H2.
What are the key properties of 2-sulfanyl-2,8-diazaspiro[4.5]decane?
2-sulfanyl-2,8-diazaspiro[4.5]decane has a molecular weight of 172.30 g/mol, XLogP of 0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 123386358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).