About 2-[(Z)-prop-1-enyl]sulfanylethanamine
2-[(Z)-prop-1-enyl]sulfanylethanamine (PubChem CID 163991578) has the molecular formula C5H11NS
and a molecular weight of 117.22 g/mol. Its IUPAC name is 2-[(Z)-prop-1-enyl]sulfanylethanamine.
Molecular Properties
| Compound Name | 2-[(Z)-prop-1-enyl]sulfanylethanamine |
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| PubChem CID | 163991578 |
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| Molecular Formula | C5H11NS |
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| Molecular Weight | 117.22 g/mol |
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| Exact Mass | 117.06 |
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| IUPAC Name | 2-[(Z)-prop-1-enyl]sulfanylethanamine |
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| SMILES | C/C=C\SCCN |
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| InChI | InChI=1S/C5H11NS/c1-2-4-7-5-3-6/h2,4H,3,5-6H2,1H3/b4-2- |
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| InChIKey | UBBTZSWYPGPGEO-RQOWECAXSA-N |
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| XLogP | 1.21 |
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| TPSA | 26.02 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 7 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 117.22 |
| LogP ≤ 5 | 1.21 |
| 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 2-[(Z)-prop-1-enyl]sulfanylethanamine?
The IUPAC name of 2-[(Z)-prop-1-enyl]sulfanylethanamine (CID 163991578) is 2-[(Z)-prop-1-enyl]sulfanylethanamine.
What is the SMILES notation for 2-[(Z)-prop-1-enyl]sulfanylethanamine?
The canonical SMILES for 2-[(Z)-prop-1-enyl]sulfanylethanamine is C/C=C\SCCN.
What is the InChIKey of 2-[(Z)-prop-1-enyl]sulfanylethanamine?
The InChIKey is UBBTZSWYPGPGEO-RQOWECAXSA-N. The full InChI is InChI=1S/C5H11NS/c1-2-4-7-5-3-6/h2,4H,3,5-6H2,1H3/b4-2-.
What are the key properties of 2-[(Z)-prop-1-enyl]sulfanylethanamine?
2-[(Z)-prop-1-enyl]sulfanylethanamine has a molecular weight of 117.22 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-prop-1-enyl]sulfanylethanamine is sourced from PubChem (CID 163991578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).