About N,N'-dimethyl-N,N'-bis(trifluoromethylsulfonyl)oxamide
N,N'-dimethyl-N,N'-bis(trifluoromethylsulfonyl)oxamide (PubChem CID 15104064) has the molecular formula C6H6F6N2O6S2
and a molecular weight of 380.24 g/mol. Its IUPAC name is N,N'-dimethyl-N,N'-bis(trifluoromethylsulfonyl)oxamide.
Molecular Properties
| Compound Name | N,N'-dimethyl-N,N'-bis(trifluoromethylsulfonyl)oxamide |
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| PubChem CID | 15104064 |
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| Molecular Formula | C6H6F6N2O6S2 |
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| Molecular Weight | 380.24 g/mol |
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| Exact Mass | 379.96 |
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| IUPAC Name | N,N'-dimethyl-N,N'-bis(trifluoromethylsulfonyl)oxamide |
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| SMILES | CN(C(=O)C(=O)N(C)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F |
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| InChI | InChI=1S/C6H6F6N2O6S2/c1-13(21(17,18)5(7,8)9)3(15)4(16)14(2)22(19,20)6(10,11)12/h1-2H3 |
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| InChIKey | QMEBSFKGOYUCSH-UHFFFAOYSA-N |
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| XLogP | -0.40 |
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| TPSA | 108.90 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 22 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 380.24 |
| LogP ≤ 5 | -0.40 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'diketo_group', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N,N'-dimethyl-N,N'-bis(trifluoromethylsulfonyl)oxamide?
The IUPAC name of N,N'-dimethyl-N,N'-bis(trifluoromethylsulfonyl)oxamide (CID 15104064) is N,N'-dimethyl-N,N'-bis(trifluoromethylsulfonyl)oxamide.
What is the SMILES notation for N,N'-dimethyl-N,N'-bis(trifluoromethylsulfonyl)oxamide?
The canonical SMILES for N,N'-dimethyl-N,N'-bis(trifluoromethylsulfonyl)oxamide is CN(C(=O)C(=O)N(C)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N,N'-dimethyl-N,N'-bis(trifluoromethylsulfonyl)oxamide?
The InChIKey is QMEBSFKGOYUCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F6N2O6S2/c1-13(21(17,18)5(7,8)9)3(15)4(16)14(2)22(19,20)6(10,11)12/h1-2H3.
What are the key properties of N,N'-dimethyl-N,N'-bis(trifluoromethylsulfonyl)oxamide?
N,N'-dimethyl-N,N'-bis(trifluoromethylsulfonyl)oxamide has a molecular weight of 380.24 g/mol, XLogP of -0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N,N'-bis(trifluoromethylsulfonyl)oxamide is sourced from PubChem (CID 15104064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).