3-(4-hydroxypiperidin-1-yl)sulfonylpropanoic acid

C8H15NO5S — CID 28773567

IUPAC3-(4-hydroxypiperidin-1-yl)sulfonylpropanoic acid
SMILESO=C(O)CCS(=O)(=O)N1CCC(O)CC1
InChIInChI=1S/C8H15NO5S/c10-7-1-4-9(5-2-7)15(13,14)6-3-8(11)12/h7,10H,1-6H2,(H,11,12)
InChIKeyPXZLSZJVUYJMJS-UHFFFAOYSA-N
MW237.28 g/mol
LogP-0.75
Rot. Bonds4

About 3-(4-hydroxypiperidin-1-yl)sulfonylpropanoic acid

3-(4-hydroxypiperidin-1-yl)sulfonylpropanoic acid (PubChem CID 28773567) has the molecular formula C8H15NO5S and a molecular weight of 237.28 g/mol. Its IUPAC name is 3-(4-hydroxypiperidin-1-yl)sulfonylpropanoic acid.

Molecular Properties

Compound Name3-(4-hydroxypiperidin-1-yl)sulfonylpropanoic acid
PubChem CID28773567
Molecular FormulaC8H15NO5S
Molecular Weight237.28 g/mol
Exact Mass237.07
IUPAC Name3-(4-hydroxypiperidin-1-yl)sulfonylpropanoic acid
SMILESO=C(O)CCS(=O)(=O)N1CCC(O)CC1
InChIInChI=1S/C8H15NO5S/c10-7-1-4-9(5-2-7)15(13,14)6-3-8(11)12/h7,10H,1-6H2,(H,11,12)
InChIKeyPXZLSZJVUYJMJS-UHFFFAOYSA-N
XLogP-0.75
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxypiperidin-1-yl)sulfonylpropanoic acid?
The IUPAC name of 3-(4-hydroxypiperidin-1-yl)sulfonylpropanoic acid (CID 28773567) is 3-(4-hydroxypiperidin-1-yl)sulfonylpropanoic acid.
What is the SMILES notation for 3-(4-hydroxypiperidin-1-yl)sulfonylpropanoic acid?
The canonical SMILES for 3-(4-hydroxypiperidin-1-yl)sulfonylpropanoic acid is O=C(O)CCS(=O)(=O)N1CCC(O)CC1.
What is the InChIKey of 3-(4-hydroxypiperidin-1-yl)sulfonylpropanoic acid?
The InChIKey is PXZLSZJVUYJMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5S/c10-7-1-4-9(5-2-7)15(13,14)6-3-8(11)12/h7,10H,1-6H2,(H,11,12).
What are the key properties of 3-(4-hydroxypiperidin-1-yl)sulfonylpropanoic acid?
3-(4-hydroxypiperidin-1-yl)sulfonylpropanoic acid has a molecular weight of 237.28 g/mol, XLogP of -0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxypiperidin-1-yl)sulfonylpropanoic acid is sourced from PubChem (CID 28773567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).