About 6-thiophen-2-ylhexanamide
6-thiophen-2-ylhexanamide (PubChem CID 137320292) has the molecular formula C10H15NOS
and a molecular weight of 197.30 g/mol. Its IUPAC name is 6-thiophen-2-ylhexanamide.
Molecular Properties
| Compound Name | 6-thiophen-2-ylhexanamide |
| PubChem CID | 137320292 |
| Molecular Formula | C10H15NOS |
| Molecular Weight | 197.30 g/mol |
| Exact Mass | 197.09 |
| IUPAC Name | 6-thiophen-2-ylhexanamide |
| SMILES | NC(=O)CCCCCc1cccs1 |
| InChI | InChI=1S/C10H15NOS/c11-10(12)7-3-1-2-5-9-6-4-8-13-9/h4,6,8H,1-3,5,7H2,(H2,11,12) |
| InChIKey | MGMBVFLULZSFHS-UHFFFAOYSA-N |
| XLogP | 2.34 |
| TPSA | 43.09 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 13 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 197.30 |
| LogP ≤ 5 | 2.34 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 6-thiophen-2-ylhexanamide?
The IUPAC name of 6-thiophen-2-ylhexanamide (CID 137320292) is 6-thiophen-2-ylhexanamide.
What is the SMILES notation for 6-thiophen-2-ylhexanamide?
The canonical SMILES for 6-thiophen-2-ylhexanamide is NC(=O)CCCCCc1cccs1.
What is the InChIKey of 6-thiophen-2-ylhexanamide?
The InChIKey is MGMBVFLULZSFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c11-10(12)7-3-1-2-5-9-6-4-8-13-9/h4,6,8H,1-3,5,7H2,(H2,11,12).
What are the key properties of 6-thiophen-2-ylhexanamide?
6-thiophen-2-ylhexanamide has a molecular weight of 197.30 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiophen-2-ylhexanamide is sourced from PubChem (CID 137320292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).