I(2)-Methyl-1-piperazineethanesulfonic acid
Basic information
- CAS
90052-54-3- Standard SMILES
CC(CS(=O)(=O)O)N1CCNCC1- InChIKey
OBTFAOMWFKNCQJ-UHFFFAOYSA-N- Molecular formula
- C7H16N2O3S
- Average molar mass
- 208.28 g/mol
- Monoisotopic mass
- 208.08816355
Names & identifiers
- Preferred name
- I(2)-Methyl-1-piperazineethanesulfonic acid
- IUPAC
- 2-piperazin-1-ylpropane-1-sulfonic acid
Names & synonyms
SCHEMBL9506311DTXSID50127540790052-54-32-(Piperazin-1-yl)propane-1-sulfonic acidI(2)-Methyl-1-piperazineethanesulfonic acid
Database identifiers
- CAS
90052-54-3- PubChem CID
- 20134010
- DTXSID
DTXSID501275407
Properties
Computed structural properties
- XLogP
- -3.4
- Topological polar surface area
- 78 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 241
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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