piperidine-4-sulfonic acid

C5H11NO3S — CID 4838

IUPACpiperidine-4-sulfonic acid
SMILESO=S(=O)(O)C1CCNCC1
InChIInChI=1S/C5H11NO3S/c7-10(8,9)5-1-3-6-4-2-5/h5-6H,1-4H2,(H,7,8,9)
InChIKeyUGBJGGRINDTHIH-UHFFFAOYSA-N
MW165.21 g/mol
LogP-0.37
Rot. Bonds1

About piperidine-4-sulfonic acid

piperidine-4-sulfonic acid (PubChem CID 4838) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is piperidine-4-sulfonic acid.

Molecular Properties

Compound Namepiperidine-4-sulfonic acid
PubChem CID4838
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC Namepiperidine-4-sulfonic acid
SMILESO=S(=O)(O)C1CCNCC1
InChIInChI=1S/C5H11NO3S/c7-10(8,9)5-1-3-6-4-2-5/h5-6H,1-4H2,(H,7,8,9)
InChIKeyUGBJGGRINDTHIH-UHFFFAOYSA-N
XLogP-0.37
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of piperidine-4-sulfonic acid?
The IUPAC name of piperidine-4-sulfonic acid (CID 4838) is piperidine-4-sulfonic acid.
What is the SMILES notation for piperidine-4-sulfonic acid?
The canonical SMILES for piperidine-4-sulfonic acid is O=S(=O)(O)C1CCNCC1.
What is the InChIKey of piperidine-4-sulfonic acid?
The InChIKey is UGBJGGRINDTHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3S/c7-10(8,9)5-1-3-6-4-2-5/h5-6H,1-4H2,(H,7,8,9).
What are the key properties of piperidine-4-sulfonic acid?
piperidine-4-sulfonic acid has a molecular weight of 165.21 g/mol, XLogP of -0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-4-sulfonic acid is sourced from PubChem (CID 4838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).