5-(piperidin-1-ylsulfonylamino)hexanoic acid

C11H22N2O4S — CID 82854421

IUPAC5-(piperidin-1-ylsulfonylamino)hexanoic acid
SMILESCC(CCCC(=O)O)NS(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H22N2O4S/c1-10(6-5-7-11(14)15)12-18(16,17)13-8-3-2-4-9-13/h10,12H,2-9H2,1H3,(H,14,15)
InChIKeyFLWBYLSXUKDVTO-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.95
Rot. Bonds7

About 5-(piperidin-1-ylsulfonylamino)hexanoic acid

5-(piperidin-1-ylsulfonylamino)hexanoic acid (PubChem CID 82854421) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 5-(piperidin-1-ylsulfonylamino)hexanoic acid.

Molecular Properties

Compound Name5-(piperidin-1-ylsulfonylamino)hexanoic acid
PubChem CID82854421
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name5-(piperidin-1-ylsulfonylamino)hexanoic acid
SMILESCC(CCCC(=O)O)NS(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H22N2O4S/c1-10(6-5-7-11(14)15)12-18(16,17)13-8-3-2-4-9-13/h10,12H,2-9H2,1H3,(H,14,15)
InChIKeyFLWBYLSXUKDVTO-UHFFFAOYSA-N
XLogP0.95
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(piperidine-1-carbonylamino)hexanoic acid
CID 82854268
(2S,3R)-3-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 28783815
(2R)-2-(azepan-1-ylsulfonylamino)-4-methylpentanoic acid
CID 28783951
1-(octan-2-ylsulfamoyl)piperidine-3-carboxylic acid
CID 60859129
5-(2,2-dimethylpropylsulfonylamino)hexanoic acid
CID 82854198
6-(pyrrolidin-1-ylsulfonylamino)hexanoic acid
CID 28783630
N-(3-oxopentan-2-yl)azepane-1-sulfonamide
CID 64994212
2-(piperidin-1-ylsulfonylamino)butanoic acid
CID 43470014
(2S)-3-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid
CID 61173835
5-(propan-2-ylamino)hexanoic acid
CID 82848277
2-methyl-6-[(3-methylpiperidin-1-yl)sulfonylamino]heptanoic acid
CID 65285279
(2S)-4-hydroxy-2-(piperidin-1-ylsulfonylamino)butanoic acid
CID 104935080

Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-1-ylsulfonylamino)hexanoic acid?
The IUPAC name of 5-(piperidin-1-ylsulfonylamino)hexanoic acid (CID 82854421) is 5-(piperidin-1-ylsulfonylamino)hexanoic acid.
What is the SMILES notation for 5-(piperidin-1-ylsulfonylamino)hexanoic acid?
The canonical SMILES for 5-(piperidin-1-ylsulfonylamino)hexanoic acid is CC(CCCC(=O)O)NS(=O)(=O)N1CCCCC1.
What is the InChIKey of 5-(piperidin-1-ylsulfonylamino)hexanoic acid?
The InChIKey is FLWBYLSXUKDVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-10(6-5-7-11(14)15)12-18(16,17)13-8-3-2-4-9-13/h10,12H,2-9H2,1H3,(H,14,15).
What are the key properties of 5-(piperidin-1-ylsulfonylamino)hexanoic acid?
5-(piperidin-1-ylsulfonylamino)hexanoic acid has a molecular weight of 278.37 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-1-ylsulfonylamino)hexanoic acid is sourced from PubChem (CID 82854421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).