4-fluoro-3-(sulfinomethoxy)piperidine-1-carboxylic acid

C7H12FNO5S — CID 135355605

IUPAC4-fluoro-3-(sulfinomethoxy)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(F)C(OCS(=O)O)C1
InChIInChI=1S/C7H12FNO5S/c8-5-1-2-9(7(10)11)3-6(5)14-4-15(12)13/h5-6H,1-4H2,(H,10,11)(H,12,13)
InChIKeySSPCMEOLUFQLLP-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.27
Rot. Bonds3

About 4-fluoro-3-(sulfinomethoxy)piperidine-1-carboxylic acid

4-fluoro-3-(sulfinomethoxy)piperidine-1-carboxylic acid (PubChem CID 135355605) has the molecular formula C7H12FNO5S and a molecular weight of 241.24 g/mol. Its IUPAC name is 4-fluoro-3-(sulfinomethoxy)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-3-(sulfinomethoxy)piperidine-1-carboxylic acid
PubChem CID135355605
Molecular FormulaC7H12FNO5S
Molecular Weight241.24 g/mol
Exact Mass241.04
IUPAC Name4-fluoro-3-(sulfinomethoxy)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(F)C(OCS(=O)O)C1
InChIInChI=1S/C7H12FNO5S/c8-5-1-2-9(7(10)11)3-6(5)14-4-15(12)13/h5-6H,1-4H2,(H,10,11)(H,12,13)
InChIKeySSPCMEOLUFQLLP-UHFFFAOYSA-N
XLogP0.27
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(sulfinomethoxy)piperidine-1-carboxylic acid?
The IUPAC name of 4-fluoro-3-(sulfinomethoxy)piperidine-1-carboxylic acid (CID 135355605) is 4-fluoro-3-(sulfinomethoxy)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-fluoro-3-(sulfinomethoxy)piperidine-1-carboxylic acid?
The canonical SMILES for 4-fluoro-3-(sulfinomethoxy)piperidine-1-carboxylic acid is O=C(O)N1CCC(F)C(OCS(=O)O)C1.
What is the InChIKey of 4-fluoro-3-(sulfinomethoxy)piperidine-1-carboxylic acid?
The InChIKey is SSPCMEOLUFQLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO5S/c8-5-1-2-9(7(10)11)3-6(5)14-4-15(12)13/h5-6H,1-4H2,(H,10,11)(H,12,13).
What are the key properties of 4-fluoro-3-(sulfinomethoxy)piperidine-1-carboxylic acid?
4-fluoro-3-(sulfinomethoxy)piperidine-1-carboxylic acid has a molecular weight of 241.24 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(sulfinomethoxy)piperidine-1-carboxylic acid is sourced from PubChem (CID 135355605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).