About N-[(2R)-3-methylbutan-2-yl]thiohydroxylamine
N-[(2R)-3-methylbutan-2-yl]thiohydroxylamine (PubChem CID 147423787) has the molecular formula C5H13NS
and a molecular weight of 119.23 g/mol. Its IUPAC name is N-[(2R)-3-methylbutan-2-yl]thiohydroxylamine.
Molecular Properties
| Compound Name | N-[(2R)-3-methylbutan-2-yl]thiohydroxylamine |
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| PubChem CID | 147423787 |
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| Molecular Formula | C5H13NS |
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| Molecular Weight | 119.23 g/mol |
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| Exact Mass | 119.08 |
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| IUPAC Name | N-[(2R)-3-methylbutan-2-yl]thiohydroxylamine |
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| SMILES | CC(C)[C@@H](C)NS |
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| InChI | InChI=1S/C5H13NS/c1-4(2)5(3)6-7/h4-7H,1-3H3/t5-/m1/s1 |
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| InChIKey | DSZUZKVPAVSSDU-RXMQYKEDSA-N |
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| XLogP | 1.47 |
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| TPSA | 12.03 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 2 |
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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 | 119.23 |
| LogP ≤ 5 | 1.47 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'thiol_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[(2R)-3-methylbutan-2-yl]thiohydroxylamine?
The IUPAC name of N-[(2R)-3-methylbutan-2-yl]thiohydroxylamine (CID 147423787) is N-[(2R)-3-methylbutan-2-yl]thiohydroxylamine.
What is the SMILES notation for N-[(2R)-3-methylbutan-2-yl]thiohydroxylamine?
The canonical SMILES for N-[(2R)-3-methylbutan-2-yl]thiohydroxylamine is CC(C)[C@@H](C)NS.
What is the InChIKey of N-[(2R)-3-methylbutan-2-yl]thiohydroxylamine?
The InChIKey is DSZUZKVPAVSSDU-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H13NS/c1-4(2)5(3)6-7/h4-7H,1-3H3/t5-/m1/s1.
What are the key properties of N-[(2R)-3-methylbutan-2-yl]thiohydroxylamine?
N-[(2R)-3-methylbutan-2-yl]thiohydroxylamine has a molecular weight of 119.23 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methylbutan-2-yl]thiohydroxylamine is sourced from PubChem (CID 147423787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).