piperidine-4-sulphonic acid   

GtoPdb Ligand ID: 4287

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 74.78
Molecular weight 165.05
XLogP -0.91
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OS(=O)(=O)C1CCNCC1
Isomeric SMILES OS(=O)(=O)C1CCNCC1
InChI InChI=1S/C5H11NO3S/c7-10(8,9)5-1-3-6-4-2-5/h5-6H,1-4H2,(H,7,8,9)
InChI Key UGBJGGRINDTHIH-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
piperidine-4-sulfonic acid
Database Links
ChEMBL Ligand CHEMBL34155
GtoPdb PubChem SID 178101104
PubChem CID 4838
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