piperidine-1-sulfonic acid

C5H11NO3S — CID 558632

IUPACpiperidine-1-sulfonic acid
SMILESO=S(=O)(O)N1CCCCC1
InChIInChI=1S/C5H11NO3S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H2,(H,7,8,9)
InChIKeyVPBCWHDJJAEBGL-UHFFFAOYSA-N
MW165.21 g/mol
LogP0.28
Rot. Bonds1

About piperidine-1-sulfonic acid

piperidine-1-sulfonic acid (PubChem CID 558632) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is piperidine-1-sulfonic acid.

Molecular Properties

Compound Namepiperidine-1-sulfonic acid
PubChem CID558632
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC Namepiperidine-1-sulfonic acid
SMILESO=S(=O)(O)N1CCCCC1
InChIInChI=1S/C5H11NO3S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H2,(H,7,8,9)
InChIKeyVPBCWHDJJAEBGL-UHFFFAOYSA-N
XLogP0.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

pyrrolidine-1-sulfonic acid;hydrochloride
CID 174453164
piperazine-1,4-disulfonic acid
CID 66863185
hydroxy-methylidene-oxo-piperidin-1-yl-λ6-sulfane
CID 91537889
azetidine-1-sulfonic acid;prop-2-enamide
CID 175525765
1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)sulfonylazepane
CID 2238490
thiomorpholine-4-sulfonic acid
CID 68633206
3-(azocan-1-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid
CID 87431538
dihydroxy-methyl-piperidin-1-yl-λ4-sulfane;methanamine
CID 165136190
1,4-bis(pyrrolidin-1-ylsulfonyl)-1,4-diazepane
CID 39730535
cyclobutane;phosphane;sulfuric acid
CID 174420693
N-methylazocane-1-sulfonamide
CID 130686123
1-methyliodanuidylsulfonylpiperidine
CID 147964763

Frequently Asked Questions

What is the IUPAC name of piperidine-1-sulfonic acid?
The IUPAC name of piperidine-1-sulfonic acid (CID 558632) is piperidine-1-sulfonic acid.
What is the SMILES notation for piperidine-1-sulfonic acid?
The canonical SMILES for piperidine-1-sulfonic acid is O=S(=O)(O)N1CCCCC1.
What is the InChIKey of piperidine-1-sulfonic acid?
The InChIKey is VPBCWHDJJAEBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H2,(H,7,8,9).
What are the key properties of piperidine-1-sulfonic acid?
piperidine-1-sulfonic acid has a molecular weight of 165.21 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-1-sulfonic acid is sourced from PubChem (CID 558632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).