4-aminooxypiperidine-1-sulfinate

C5H11N2O3S- — CID 89407833

IUPAC4-aminooxypiperidine-1-sulfinate
SMILESNOC1CCN(S(=O)[O-])CC1
InChIInChI=1S/C5H12N2O3S/c6-10-5-1-3-7(4-2-5)11(8)9/h5H,1-4,6H2,(H,8,9)/p-1
InChIKeyHMASDGAQMNHVIC-UHFFFAOYSA-M
MW179.22 g/mol
LogP-0.86
Rot. Bonds2

About 4-aminooxypiperidine-1-sulfinate

4-aminooxypiperidine-1-sulfinate (PubChem CID 89407833) has the molecular formula C5H11N2O3S- and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-aminooxypiperidine-1-sulfinate.

Molecular Properties

Compound Name4-aminooxypiperidine-1-sulfinate
PubChem CID89407833
Molecular FormulaC5H11N2O3S-
Molecular Weight179.22 g/mol
Exact Mass179.05
IUPAC Name4-aminooxypiperidine-1-sulfinate
SMILESNOC1CCN(S(=O)[O-])CC1
InChIInChI=1S/C5H12N2O3S/c6-10-5-1-3-7(4-2-5)11(8)9/h5H,1-4,6H2,(H,8,9)/p-1
InChIKeyHMASDGAQMNHVIC-UHFFFAOYSA-M
XLogP-0.86
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-aminooxypiperidine-1-sulfinate?
The IUPAC name of 4-aminooxypiperidine-1-sulfinate (CID 89407833) is 4-aminooxypiperidine-1-sulfinate.
What is the SMILES notation for 4-aminooxypiperidine-1-sulfinate?
The canonical SMILES for 4-aminooxypiperidine-1-sulfinate is NOC1CCN(S(=O)[O-])CC1.
What is the InChIKey of 4-aminooxypiperidine-1-sulfinate?
The InChIKey is HMASDGAQMNHVIC-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H12N2O3S/c6-10-5-1-3-7(4-2-5)11(8)9/h5H,1-4,6H2,(H,8,9)/p-1.
What are the key properties of 4-aminooxypiperidine-1-sulfinate?
4-aminooxypiperidine-1-sulfinate has a molecular weight of 179.22 g/mol, XLogP of -0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminooxypiperidine-1-sulfinate is sourced from PubChem (CID 89407833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).