2-(2-piperidin-1-ylethylsulfonyl)butanoic acid

C11H21NO4S — CID 82180685

IUPAC2-(2-piperidin-1-ylethylsulfonyl)butanoic acid
SMILESCCC(C(=O)O)S(=O)(=O)CCN1CCCCC1
InChIInChI=1S/C11H21NO4S/c1-2-10(11(13)14)17(15,16)9-8-12-6-4-3-5-7-12/h10H,2-9H2,1H3,(H,13,14)
InChIKeyYOKLUJCMIULNPH-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.75
Rot. Bonds6

About 2-(2-piperidin-1-ylethylsulfonyl)butanoic acid

2-(2-piperidin-1-ylethylsulfonyl)butanoic acid (PubChem CID 82180685) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-(2-piperidin-1-ylethylsulfonyl)butanoic acid.

Molecular Properties

Compound Name2-(2-piperidin-1-ylethylsulfonyl)butanoic acid
PubChem CID82180685
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name2-(2-piperidin-1-ylethylsulfonyl)butanoic acid
SMILESCCC(C(=O)O)S(=O)(=O)CCN1CCCCC1
InChIInChI=1S/C11H21NO4S/c1-2-10(11(13)14)17(15,16)9-8-12-6-4-3-5-7-12/h10H,2-9H2,1H3,(H,13,14)
InChIKeyYOKLUJCMIULNPH-UHFFFAOYSA-N
XLogP0.75
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(2-Ethylsulfonylethyl)piperidine-4-carboxylic acid
CID 43808024
2-(1-Methanesulfonyl-piperidine-4-sulfonyl)-2-methyl-propionic acid
CID 59253185
Deuteriomethane;ethane;1-(2-ethylsulfonylethyl)piperidine-4-carboxylic acid
CID 90708596
3-(1-Methylpiperidin-4-yl)sulfanylpropanoic acid
CID 91177998
2-[(1-Methylpiperidin-4-yl)sulfonyl]acetic acid
CID 116853674
4-Acetylsulfonylpiperidine-1-carboxylic acid
CID 141210177
2-(2-Piperidin-1-ylethylsulfanyl)butanoic acid
CID 22307955
3-(2-Oxo-2-piperidin-1-ylethyl)sulfonylpropanoic acid
CID 28378671
4-(Piperidine-1-sulfonyl)butanoic acid
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4-[Methyl-(1-methylpiperidin-4-yl)sulfamoyl]butanoic acid
CID 28773629

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-1-ylethylsulfonyl)butanoic acid?
The IUPAC name of 2-(2-piperidin-1-ylethylsulfonyl)butanoic acid (CID 82180685) is 2-(2-piperidin-1-ylethylsulfonyl)butanoic acid.
What is the SMILES notation for 2-(2-piperidin-1-ylethylsulfonyl)butanoic acid?
The canonical SMILES for 2-(2-piperidin-1-ylethylsulfonyl)butanoic acid is CCC(C(=O)O)S(=O)(=O)CCN1CCCCC1.
What is the InChIKey of 2-(2-piperidin-1-ylethylsulfonyl)butanoic acid?
The InChIKey is YOKLUJCMIULNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-2-10(11(13)14)17(15,16)9-8-12-6-4-3-5-7-12/h10H,2-9H2,1H3,(H,13,14).
What are the key properties of 2-(2-piperidin-1-ylethylsulfonyl)butanoic acid?
2-(2-piperidin-1-ylethylsulfonyl)butanoic acid has a molecular weight of 263.36 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-1-ylethylsulfonyl)butanoic acid is sourced from PubChem (CID 82180685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).