4-(1-Methyl-4-nitro-1H-imidazole-5-sulfonyl)morpholine
Basic information
- CAS
80348-55-6- Standard SMILES
Cn1cnc([N+](=O)[O-])c1S(=O)(=O)N1CCOCC1- InChIKey
RAYNJIIDRZETKC-UHFFFAOYSA-N- Molecular formula
- C8H12N4O5S
- Average molar mass
- 276.27 g/mol
- Monoisotopic mass
- 276.05284067
Names & identifiers
- Preferred name
- 4-(1-Methyl-4-nitro-1H-imidazole-5-sulfonyl)morpholine
- IUPAC
- 4-(3-methyl-5-nitroimidazol-4-yl)sulfonylmorpholine
Names & synonyms
80348-55-6NSC3261514-(1-Methyl-4-nitro-1H-imidazole-5-sulfonyl)morpholineDTXSID10318103NSC-326151DS-0050674-(3-Methyl-5-nitro-imidazol-4-yl)sulfonylmorpholine
Database identifiers
- CAS
80348-55-6- PubChem CID
- 331691
- DTXSID
DTXSID10318103
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 410
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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