About N-[(Z)-prop-1-enyl]sulfanylmethanamine
N-[(Z)-prop-1-enyl]sulfanylmethanamine (PubChem CID 89160397) has the molecular formula C4H9NS
and a molecular weight of 103.19 g/mol. Its IUPAC name is N-[(Z)-prop-1-enyl]sulfanylmethanamine.
Molecular Properties
| Compound Name | N-[(Z)-prop-1-enyl]sulfanylmethanamine |
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| PubChem CID | 89160397 |
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| Molecular Formula | C4H9NS |
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| Molecular Weight | 103.19 g/mol |
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| Exact Mass | 103.05 |
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| IUPAC Name | N-[(Z)-prop-1-enyl]sulfanylmethanamine |
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| SMILES | C/C=C\SNC |
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| InChI | InChI=1S/C4H9NS/c1-3-4-6-5-2/h3-5H,1-2H3/b4-3- |
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| InChIKey | MTODZUYUPZSCHD-ARJAWSKDSA-N |
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| XLogP | 1.39 |
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| TPSA | 12.03 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 6 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 103.19 |
| LogP ≤ 5 | 1.39 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[(Z)-prop-1-enyl]sulfanylmethanamine?
The IUPAC name of N-[(Z)-prop-1-enyl]sulfanylmethanamine (CID 89160397) is N-[(Z)-prop-1-enyl]sulfanylmethanamine.
What is the SMILES notation for N-[(Z)-prop-1-enyl]sulfanylmethanamine?
The canonical SMILES for N-[(Z)-prop-1-enyl]sulfanylmethanamine is C/C=C\SNC.
What is the InChIKey of N-[(Z)-prop-1-enyl]sulfanylmethanamine?
The InChIKey is MTODZUYUPZSCHD-ARJAWSKDSA-N. The full InChI is InChI=1S/C4H9NS/c1-3-4-6-5-2/h3-5H,1-2H3/b4-3-.
What are the key properties of N-[(Z)-prop-1-enyl]sulfanylmethanamine?
N-[(Z)-prop-1-enyl]sulfanylmethanamine has a molecular weight of 103.19 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-prop-1-enyl]sulfanylmethanamine is sourced from PubChem (CID 89160397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).