About N-methyl-N-prop-2-ynylsulfamoyl chloride
N-methyl-N-prop-2-ynylsulfamoyl chloride (PubChem CID 15767342) has the molecular formula C4H6ClNO2S
and a molecular weight of 167.62 g/mol. Its IUPAC name is N-methyl-N-prop-2-ynylsulfamoyl chloride.
Molecular Properties
| Compound Name | N-methyl-N-prop-2-ynylsulfamoyl chloride |
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| PubChem CID | 15767342 |
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| Molecular Formula | C4H6ClNO2S |
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| Molecular Weight | 167.62 g/mol |
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| Exact Mass | 166.98 |
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| IUPAC Name | N-methyl-N-prop-2-ynylsulfamoyl chloride |
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| SMILES | C#CCN(C)S(=O)(=O)Cl |
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| InChI | InChI=1S/C4H6ClNO2S/c1-3-4-6(2)9(5,7)8/h1H,4H2,2H3 |
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| InChIKey | HFMNEJYSBAYLPP-UHFFFAOYSA-N |
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| XLogP | 0.04 |
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| TPSA | 37.38 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 9 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 167.62 |
| LogP ≤ 5 | 0.04 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-methyl-N-prop-2-ynylsulfamoyl chloride?
The IUPAC name of N-methyl-N-prop-2-ynylsulfamoyl chloride (CID 15767342) is N-methyl-N-prop-2-ynylsulfamoyl chloride.
What is the SMILES notation for N-methyl-N-prop-2-ynylsulfamoyl chloride?
The canonical SMILES for N-methyl-N-prop-2-ynylsulfamoyl chloride is C#CCN(C)S(=O)(=O)Cl.
What is the InChIKey of N-methyl-N-prop-2-ynylsulfamoyl chloride?
The InChIKey is HFMNEJYSBAYLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClNO2S/c1-3-4-6(2)9(5,7)8/h1H,4H2,2H3.
What are the key properties of N-methyl-N-prop-2-ynylsulfamoyl chloride?
N-methyl-N-prop-2-ynylsulfamoyl chloride has a molecular weight of 167.62 g/mol, XLogP of 0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-prop-2-ynylsulfamoyl chloride is sourced from PubChem (CID 15767342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).