hydrogen sulfate;1-hydroxypiperidin-1-ium

C5H13NO5S — CID 141118303

IUPAChydrogen sulfate;1-hydroxypiperidin-1-ium
SMILESO=S(=O)([O-])O.O[NH+]1CCCCC1
InChIInChI=1S/C5H11NO.H2O4S/c7-6-4-2-1-3-5-6;1-5(2,3)4/h7H,1-5H2;(H2,1,2,3,4)
InChIKeyPBCMAXYCEMZARS-UHFFFAOYSA-N
MW199.23 g/mol
LogP-1.55
Rot. Bonds

About hydrogen sulfate;1-hydroxypiperidin-1-ium

hydrogen sulfate;1-hydroxypiperidin-1-ium (PubChem CID 141118303) has the molecular formula C5H13NO5S and a molecular weight of 199.23 g/mol. Its IUPAC name is hydrogen sulfate;1-hydroxypiperidin-1-ium.

Molecular Properties

Compound Namehydrogen sulfate;1-hydroxypiperidin-1-ium
PubChem CID141118303
Molecular FormulaC5H13NO5S
Molecular Weight199.23 g/mol
Exact Mass199.05
IUPAC Namehydrogen sulfate;1-hydroxypiperidin-1-ium
SMILESO=S(=O)([O-])O.O[NH+]1CCCCC1
InChIInChI=1S/C5H11NO.H2O4S/c7-6-4-2-1-3-5-6;1-5(2,3)4/h7H,1-5H2;(H2,1,2,3,4)
InChIKeyPBCMAXYCEMZARS-UHFFFAOYSA-N
XLogP-1.55
TPSA102.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydrogen sulfate;1-hydroxypiperidin-1-ium?
The IUPAC name of hydrogen sulfate;1-hydroxypiperidin-1-ium (CID 141118303) is hydrogen sulfate;1-hydroxypiperidin-1-ium.
What is the SMILES notation for hydrogen sulfate;1-hydroxypiperidin-1-ium?
The canonical SMILES for hydrogen sulfate;1-hydroxypiperidin-1-ium is O=S(=O)([O-])O.O[NH+]1CCCCC1.
What is the InChIKey of hydrogen sulfate;1-hydroxypiperidin-1-ium?
The InChIKey is PBCMAXYCEMZARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.H2O4S/c7-6-4-2-1-3-5-6;1-5(2,3)4/h7H,1-5H2;(H2,1,2,3,4).
What are the key properties of hydrogen sulfate;1-hydroxypiperidin-1-ium?
hydrogen sulfate;1-hydroxypiperidin-1-ium has a molecular weight of 199.23 g/mol, XLogP of -1.55, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen sulfate;1-hydroxypiperidin-1-ium is sourced from PubChem (CID 141118303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).