About 11-aminoundec-1-ene-1-thiol
11-aminoundec-1-ene-1-thiol (PubChem CID 140634204) has the molecular formula C11H23NS
and a molecular weight of 201.38 g/mol. Its IUPAC name is 11-aminoundec-1-ene-1-thiol.
Molecular Properties
| Compound Name | 11-aminoundec-1-ene-1-thiol |
|---|
| PubChem CID | 140634204 |
|---|
| Molecular Formula | C11H23NS |
|---|
| Molecular Weight | 201.38 g/mol |
|---|
| Exact Mass | 201.16 |
|---|
| IUPAC Name | 11-aminoundec-1-ene-1-thiol |
|---|
| SMILES | NCCCCCCCCCC=CS |
|---|
| InChI | InChI=1S/C11H23NS/c12-10-8-6-4-2-1-3-5-7-9-11-13/h9,11,13H,1-8,10,12H2 |
|---|
| InChIKey | JAPOEAIENHYGGM-UHFFFAOYSA-N |
|---|
| XLogP | 3.51 |
|---|
| TPSA | 26.02 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | 9 |
|---|
| Heavy Atoms | 13 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 201.38 |
| LogP ≤ 5 | 3.51 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'} |
|---|
Analyze 11-aminoundec-1-ene-1-thiol 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 11-aminoundec-1-ene-1-thiol?
The IUPAC name of 11-aminoundec-1-ene-1-thiol (CID 140634204) is 11-aminoundec-1-ene-1-thiol.
What is the SMILES notation for 11-aminoundec-1-ene-1-thiol?
The canonical SMILES for 11-aminoundec-1-ene-1-thiol is NCCCCCCCCCC=CS.
What is the InChIKey of 11-aminoundec-1-ene-1-thiol?
The InChIKey is JAPOEAIENHYGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c12-10-8-6-4-2-1-3-5-7-9-11-13/h9,11,13H,1-8,10,12H2.
What are the key properties of 11-aminoundec-1-ene-1-thiol?
11-aminoundec-1-ene-1-thiol has a molecular weight of 201.38 g/mol, XLogP of 3.51, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-aminoundec-1-ene-1-thiol is sourced from PubChem (CID 140634204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).