4-methoxypiperidine-1-sulfonic acid

C6H13NO4S — CID 68632277

IUPAC4-methoxypiperidine-1-sulfonic acid
SMILESCOC1CCN(S(=O)(=O)O)CC1
InChIInChI=1S/C6H13NO4S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h6H,2-5H2,1H3,(H,8,9,10)
InChIKeyHWQDXZRHSVYCEY-UHFFFAOYSA-N
MW195.24 g/mol
LogP-0.10
Rot. Bonds2

About 4-methoxypiperidine-1-sulfonic acid

4-methoxypiperidine-1-sulfonic acid (PubChem CID 68632277) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is 4-methoxypiperidine-1-sulfonic acid.

Molecular Properties

Compound Name4-methoxypiperidine-1-sulfonic acid
PubChem CID68632277
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC Name4-methoxypiperidine-1-sulfonic acid
SMILESCOC1CCN(S(=O)(=O)O)CC1
InChIInChI=1S/C6H13NO4S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h6H,2-5H2,1H3,(H,8,9,10)
InChIKeyHWQDXZRHSVYCEY-UHFFFAOYSA-N
XLogP-0.10
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
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 4-methoxypiperidine-1-sulfonic acid?
The IUPAC name of 4-methoxypiperidine-1-sulfonic acid (CID 68632277) is 4-methoxypiperidine-1-sulfonic acid.
What is the SMILES notation for 4-methoxypiperidine-1-sulfonic acid?
The canonical SMILES for 4-methoxypiperidine-1-sulfonic acid is COC1CCN(S(=O)(=O)O)CC1.
What is the InChIKey of 4-methoxypiperidine-1-sulfonic acid?
The InChIKey is HWQDXZRHSVYCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h6H,2-5H2,1H3,(H,8,9,10).
What are the key properties of 4-methoxypiperidine-1-sulfonic acid?
4-methoxypiperidine-1-sulfonic acid has a molecular weight of 195.24 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxypiperidine-1-sulfonic acid is sourced from PubChem (CID 68632277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).