5-(2-pyridin-2-ylethylsulfonylamino)hexanoic acid

C13H20N2O4S — CID 82854201

IUPAC5-(2-pyridin-2-ylethylsulfonylamino)hexanoic acid
SMILESCC(CCCC(=O)O)NS(=O)(=O)CCc1ccccn1
InChIInChI=1S/C13H20N2O4S/c1-11(5-4-7-13(16)17)15-20(18,19)10-8-12-6-2-3-9-14-12/h2-3,6,9,11,15H,4-5,7-8,10H2,1H3,(H,16,17)
InChIKeyRQGANNPGYLIJIX-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.19
Rot. Bonds9

About 5-(2-pyridin-2-ylethylsulfonylamino)hexanoic acid

5-(2-pyridin-2-ylethylsulfonylamino)hexanoic acid (PubChem CID 82854201) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 5-(2-pyridin-2-ylethylsulfonylamino)hexanoic acid.

Molecular Properties

Compound Name5-(2-pyridin-2-ylethylsulfonylamino)hexanoic acid
PubChem CID82854201
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name5-(2-pyridin-2-ylethylsulfonylamino)hexanoic acid
SMILESCC(CCCC(=O)O)NS(=O)(=O)CCc1ccccn1
InChIInChI=1S/C13H20N2O4S/c1-11(5-4-7-13(16)17)15-20(18,19)10-8-12-6-2-3-9-14-12/h2-3,6,9,11,15H,4-5,7-8,10H2,1H3,(H,16,17)
InChIKeyRQGANNPGYLIJIX-UHFFFAOYSA-N
XLogP1.19
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-phenylbutan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 25046012
2-(2-pyridin-2-ylethylsulfonylamino)pentanoic acid
CID 60865090
N-(1-cyanopropan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 62093173
3,3-dimethyl-2-(2-pyridin-2-ylethylsulfonylamino)butanoic acid
CID 60864746
2-(2-pyridin-2-ylethylsulfonylamino)-4-sulfanylbutanoic acid
CID 114212692
(2R)-4-methylsulfanyl-2-(2-pyridin-2-ylethylsulfonylamino)butanoic acid
CID 104906602
5-methyl-6-pyridin-2-ylhexanoic acid
CID 58070898
3-(4-phenylbutan-2-ylsulfamoyl)propanoic acid
CID 43361780
4-amino-4-oxo-2-(2-pyridin-2-ylethylsulfonylamino)butanoic acid
CID 60864910
(2S)-4-amino-4-oxo-2-(2-pyridin-2-ylethylsulfonylamino)butanoic acid
CID 63715727
3-methyl-2-[(2-pyridin-2-ylethylsulfonylamino)methyl]butanoic acid
CID 65220958
5-[bis(pyridin-2-ylmethyl)amino]hexanoic acid
CID 141092997

Frequently Asked Questions

What is the IUPAC name of 5-(2-pyridin-2-ylethylsulfonylamino)hexanoic acid?
The IUPAC name of 5-(2-pyridin-2-ylethylsulfonylamino)hexanoic acid (CID 82854201) is 5-(2-pyridin-2-ylethylsulfonylamino)hexanoic acid.
What is the SMILES notation for 5-(2-pyridin-2-ylethylsulfonylamino)hexanoic acid?
The canonical SMILES for 5-(2-pyridin-2-ylethylsulfonylamino)hexanoic acid is CC(CCCC(=O)O)NS(=O)(=O)CCc1ccccn1.
What is the InChIKey of 5-(2-pyridin-2-ylethylsulfonylamino)hexanoic acid?
The InChIKey is RQGANNPGYLIJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-11(5-4-7-13(16)17)15-20(18,19)10-8-12-6-2-3-9-14-12/h2-3,6,9,11,15H,4-5,7-8,10H2,1H3,(H,16,17).
What are the key properties of 5-(2-pyridin-2-ylethylsulfonylamino)hexanoic acid?
5-(2-pyridin-2-ylethylsulfonylamino)hexanoic acid has a molecular weight of 300.38 g/mol, XLogP of 1.19, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyridin-2-ylethylsulfonylamino)hexanoic acid is sourced from PubChem (CID 82854201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).