4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylbutanoic acid

C11H21NO5S — CID 43209559

IUPAC4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylbutanoic acid
SMILESO=C(O)CCCS(=O)(=O)N1CCCCC1CCO
InChIInChI=1S/C11H21NO5S/c13-8-6-10-4-1-2-7-12(10)18(16,17)9-3-5-11(14)15/h10,13H,1-9H2,(H,14,15)
InChIKeyABOLKTNYEQMFCH-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.42
Rot. Bonds7

About 4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylbutanoic acid

4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylbutanoic acid (PubChem CID 43209559) has the molecular formula C11H21NO5S and a molecular weight of 279.36 g/mol. Its IUPAC name is 4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylbutanoic acid.

Molecular Properties

Compound Name4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylbutanoic acid
PubChem CID43209559
Molecular FormulaC11H21NO5S
Molecular Weight279.36 g/mol
Exact Mass279.11
IUPAC Name4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylbutanoic acid
SMILESO=C(O)CCCS(=O)(=O)N1CCCCC1CCO
InChIInChI=1S/C11H21NO5S/c13-8-6-10-4-1-2-7-12(10)18(16,17)9-3-5-11(14)15/h10,13H,1-9H2,(H,14,15)
InChIKeyABOLKTNYEQMFCH-UHFFFAOYSA-N
XLogP0.42
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylbutanoic acid?
The IUPAC name of 4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylbutanoic acid (CID 43209559) is 4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylbutanoic acid.
What is the SMILES notation for 4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylbutanoic acid?
The canonical SMILES for 4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylbutanoic acid is O=C(O)CCCS(=O)(=O)N1CCCCC1CCO.
What is the InChIKey of 4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylbutanoic acid?
The InChIKey is ABOLKTNYEQMFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5S/c13-8-6-10-4-1-2-7-12(10)18(16,17)9-3-5-11(14)15/h10,13H,1-9H2,(H,14,15).
What are the key properties of 4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylbutanoic acid?
4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylbutanoic acid has a molecular weight of 279.36 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylbutanoic acid is sourced from PubChem (CID 43209559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).