Basic information
- Standard SMILES
COC(=O)CCS(=O)(=O)N1CC[NH2+]CC1- InChIKey
VQLHBMNUKKVLEU-UHFFFAOYSA-O- Molecular formula
- C8H17N2O4S+
- Average molar mass
- 237.3 g/mol
- Monoisotopic mass
- 237.0909032
Names & identifiers
- Preferred name
- 4-(2-Methoxycarbonyl-ethanesulfonyl)-piperazin-1-ium
- IUPAC
- methyl 3-piperazin-4-ium-1-ylsulfonylpropanoate
Names & synonyms
VQLHBMNUKKVLEU-UHFFFAOYSA-O4-(2-methoxycarbonyl-ethanesulfonyl)-piperazin-1-ium
Database identifiers
- PubChem CID
- 86611201
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 88.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 1
- Complexity
- 303
Related reactions
7 records
Compound notes
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