About N-methyl-N-prop-2-ynylmethanesulfonamide
N-methyl-N-prop-2-ynylmethanesulfonamide (PubChem CID 14025443) has the molecular formula C5H9NO2S
and a molecular weight of 147.20 g/mol. Its IUPAC name is N-methyl-N-prop-2-ynylmethanesulfonamide.
Molecular Properties
| Compound Name | N-methyl-N-prop-2-ynylmethanesulfonamide |
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| PubChem CID | 14025443 |
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| Molecular Formula | C5H9NO2S |
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| Molecular Weight | 147.20 g/mol |
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| Exact Mass | 147.04 |
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| IUPAC Name | N-methyl-N-prop-2-ynylmethanesulfonamide |
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| SMILES | C#CCN(C)S(C)(=O)=O |
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| InChI | InChI=1S/C5H9NO2S/c1-4-5-6(2)9(3,7)8/h1H,5H2,2-3H3 |
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| InChIKey | BRAXPECREYYDDX-UHFFFAOYSA-N |
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| XLogP | -0.49 |
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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 | 147.20 |
| LogP ≤ 5 | -0.49 |
| 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-ynylmethanesulfonamide?
The IUPAC name of N-methyl-N-prop-2-ynylmethanesulfonamide (CID 14025443) is N-methyl-N-prop-2-ynylmethanesulfonamide.
What is the SMILES notation for N-methyl-N-prop-2-ynylmethanesulfonamide?
The canonical SMILES for N-methyl-N-prop-2-ynylmethanesulfonamide is C#CCN(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-prop-2-ynylmethanesulfonamide?
The InChIKey is BRAXPECREYYDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S/c1-4-5-6(2)9(3,7)8/h1H,5H2,2-3H3.
What are the key properties of N-methyl-N-prop-2-ynylmethanesulfonamide?
N-methyl-N-prop-2-ynylmethanesulfonamide has a molecular weight of 147.20 g/mol, XLogP of -0.49, 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-ynylmethanesulfonamide is sourced from PubChem (CID 14025443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).