4-(methylsulfonyloxymethyl)piperidine-1-carboxylic acid

C8H15NO5S — CID 22049958

IUPAC4-(methylsulfonyloxymethyl)piperidine-1-carboxylic acid
SMILESCS(=O)(=O)OCC1CCN(C(=O)O)CC1
InChIInChI=1S/C8H15NO5S/c1-15(12,13)14-6-7-2-4-9(5-3-7)8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyRMABHIRQOVJNGI-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.35
Rot. Bonds3

About 4-(methylsulfonyloxymethyl)piperidine-1-carboxylic acid

4-(methylsulfonyloxymethyl)piperidine-1-carboxylic acid (PubChem CID 22049958) has the molecular formula C8H15NO5S and a molecular weight of 237.28 g/mol. Its IUPAC name is 4-(methylsulfonyloxymethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(methylsulfonyloxymethyl)piperidine-1-carboxylic acid
PubChem CID22049958
Molecular FormulaC8H15NO5S
Molecular Weight237.28 g/mol
Exact Mass237.07
IUPAC Name4-(methylsulfonyloxymethyl)piperidine-1-carboxylic acid
SMILESCS(=O)(=O)OCC1CCN(C(=O)O)CC1
InChIInChI=1S/C8H15NO5S/c1-15(12,13)14-6-7-2-4-9(5-3-7)8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyRMABHIRQOVJNGI-UHFFFAOYSA-N
XLogP0.35
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfonyloxymethyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(methylsulfonyloxymethyl)piperidine-1-carboxylic acid (CID 22049958) is 4-(methylsulfonyloxymethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(methylsulfonyloxymethyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(methylsulfonyloxymethyl)piperidine-1-carboxylic acid is CS(=O)(=O)OCC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(methylsulfonyloxymethyl)piperidine-1-carboxylic acid?
The InChIKey is RMABHIRQOVJNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5S/c1-15(12,13)14-6-7-2-4-9(5-3-7)8(10)11/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 4-(methylsulfonyloxymethyl)piperidine-1-carboxylic acid?
4-(methylsulfonyloxymethyl)piperidine-1-carboxylic acid has a molecular weight of 237.28 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfonyloxymethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 22049958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).