4-hydroxypiperidine-4-sulfonic acid

C5H11NO4S — CID 103574103

IUPAC4-hydroxypiperidine-4-sulfonic acid
SMILESO=S(=O)(O)C1(O)CCNCC1
InChIInChI=1S/C5H11NO4S/c7-5(11(8,9)10)1-3-6-4-2-5/h6-7H,1-4H2,(H,8,9,10)
InChIKeyDOKUNFAFDQNXKF-UHFFFAOYSA-N
MW181.21 g/mol
LogP-1.05
Rot. Bonds1

About 4-hydroxypiperidine-4-sulfonic acid

4-hydroxypiperidine-4-sulfonic acid (PubChem CID 103574103) has the molecular formula C5H11NO4S and a molecular weight of 181.21 g/mol. Its IUPAC name is 4-hydroxypiperidine-4-sulfonic acid.

Molecular Properties

Compound Name4-hydroxypiperidine-4-sulfonic acid
PubChem CID103574103
Molecular FormulaC5H11NO4S
Molecular Weight181.21 g/mol
Exact Mass181.04
IUPAC Name4-hydroxypiperidine-4-sulfonic acid
SMILESO=S(=O)(O)C1(O)CCNCC1
InChIInChI=1S/C5H11NO4S/c7-5(11(8,9)10)1-3-6-4-2-5/h6-7H,1-4H2,(H,8,9,10)
InChIKeyDOKUNFAFDQNXKF-UHFFFAOYSA-N
XLogP-1.05
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-trihydroxycyclohexane-1,3,5-trisulfonic acid
CID 14112809
4-cyclohexyl-1-hydroxycyclohexane-1-sulfonic acid
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4-hydroxy-1-propan-2-ylpiperidine-4-sulfonic acid
CID 103573992
4-hydroxy-1-methylazepane-4-sulfonic acid
CID 103573942
4-sulfanylpiperidin-4-ol
CID 137450894
5,8-diazaspiro[2.6]nonane;sulfuric acid
CID 71811338
ethane-1,2-disulfonic acid;piperazine
CID 174840116
(2R)-2-fluoro-3-hydroxybicyclo[1.1.0]butane-1-sulfonic acid
CID 118629629
azepane-4,4-diol
CID 153445215
N-(4-methylpiperidin-4-yl)-2-methylsulfonylacetamide
CID 114696301
imidazolidine;sulfuric acid
CID 70477093
2-(4-hydroxypiperidin-4-yl)acetic acid
CID 15565781

Frequently Asked Questions

What is the IUPAC name of 4-hydroxypiperidine-4-sulfonic acid?
The IUPAC name of 4-hydroxypiperidine-4-sulfonic acid (CID 103574103) is 4-hydroxypiperidine-4-sulfonic acid.
What is the SMILES notation for 4-hydroxypiperidine-4-sulfonic acid?
The canonical SMILES for 4-hydroxypiperidine-4-sulfonic acid is O=S(=O)(O)C1(O)CCNCC1.
What is the InChIKey of 4-hydroxypiperidine-4-sulfonic acid?
The InChIKey is DOKUNFAFDQNXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4S/c7-5(11(8,9)10)1-3-6-4-2-5/h6-7H,1-4H2,(H,8,9,10).
What are the key properties of 4-hydroxypiperidine-4-sulfonic acid?
4-hydroxypiperidine-4-sulfonic acid has a molecular weight of 181.21 g/mol, XLogP of -1.05, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxypiperidine-4-sulfonic acid is sourced from PubChem (CID 103574103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).