Basic information
- CAS
38030-00-1- Standard SMILES
CN1CCN(c2ccc(S(=O)(=O)O)cn2)CC1- InChIKey
BLODWCNGEILCHR-UHFFFAOYSA-N- Molecular formula
- C10H15N3O3S
- Average molar mass
- 257.31 g/mol
- Monoisotopic mass
- 257.08341252
Names & identifiers
- Preferred name
- 3-Pyridinesulfonic acid, 6-(4-methyl-1-piperazinyl)-
- IUPAC
- 6-(4-methylpiperazin-1-yl)pyridine-3-sulfonic acid
Names & synonyms
6-(4-methylpiperazin-1-yl)pyridine-3-sulfonic acid3-Pyridinesulfonic acid, 6-(4-methyl-1-piperazinyl)-5509-79-538030-00-1LT 131BRN 06165536-(4-Methyl-1-piperazinyl)-3-pyridinesulfonic acidAcide (methyl-4 piperazinyl-1)-2 pyridinesulfonique [French]Acide (methyl-4 piperazinyl-1)-2 pyridinesulfoniqueDTXSID00191447
Database identifiers
- CAS
38030-00-1- PubChem CID
- 217030
- DTXSID
DTXSID00191447
Properties
Computed structural properties
- XLogP
- -2.4
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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