2-(2-pyridin-2-ylethylsulfonylamino)pentanoic acid

C12H18N2O4S — CID 60865090

IUPAC2-(2-pyridin-2-ylethylsulfonylamino)pentanoic acid
SMILESCCCC(NS(=O)(=O)CCc1ccccn1)C(=O)O
InChIInChI=1S/C12H18N2O4S/c1-2-5-11(12(15)16)14-19(17,18)9-7-10-6-3-4-8-13-10/h3-4,6,8,11,14H,2,5,7,9H2,1H3,(H,15,16)
InChIKeyHTIYZGUHBHELLF-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.80
Rot. Bonds8

About 2-(2-pyridin-2-ylethylsulfonylamino)pentanoic acid

2-(2-pyridin-2-ylethylsulfonylamino)pentanoic acid (PubChem CID 60865090) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-(2-pyridin-2-ylethylsulfonylamino)pentanoic acid.

Molecular Properties

Compound Name2-(2-pyridin-2-ylethylsulfonylamino)pentanoic acid
PubChem CID60865090
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name2-(2-pyridin-2-ylethylsulfonylamino)pentanoic acid
SMILESCCCC(NS(=O)(=O)CCc1ccccn1)C(=O)O
InChIInChI=1S/C12H18N2O4S/c1-2-5-11(12(15)16)14-19(17,18)9-7-10-6-3-4-8-13-10/h3-4,6,8,11,14H,2,5,7,9H2,1H3,(H,15,16)
InChIKeyHTIYZGUHBHELLF-UHFFFAOYSA-N
XLogP0.80
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-pyridin-2-ylethylsulfonylamino)-4-sulfanylbutanoic acid
CID 114212692
(2R)-4-methylsulfanyl-2-(2-pyridin-2-ylethylsulfonylamino)butanoic acid
CID 104906602
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
N-(1-aminopentan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 61133014
3,3-dimethyl-2-(2-pyridin-2-ylethylsulfonylamino)butanoic acid
CID 60864746
2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid
CID 61183979
5-(2-pyridin-2-ylethylsulfonylamino)hexanoic acid
CID 82854201
N-(4-phenylbutan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 25046012
N-(1-bromobutan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 114298456
3-methyl-2-[(2-pyridin-2-ylethylsulfonylamino)methyl]butanoic acid
CID 65220958
2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfonylamino]pentanoic acid
CID 122070083

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-ylethylsulfonylamino)pentanoic acid?
The IUPAC name of 2-(2-pyridin-2-ylethylsulfonylamino)pentanoic acid (CID 60865090) is 2-(2-pyridin-2-ylethylsulfonylamino)pentanoic acid.
What is the SMILES notation for 2-(2-pyridin-2-ylethylsulfonylamino)pentanoic acid?
The canonical SMILES for 2-(2-pyridin-2-ylethylsulfonylamino)pentanoic acid is CCCC(NS(=O)(=O)CCc1ccccn1)C(=O)O.
What is the InChIKey of 2-(2-pyridin-2-ylethylsulfonylamino)pentanoic acid?
The InChIKey is HTIYZGUHBHELLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-2-5-11(12(15)16)14-19(17,18)9-7-10-6-3-4-8-13-10/h3-4,6,8,11,14H,2,5,7,9H2,1H3,(H,15,16).
What are the key properties of 2-(2-pyridin-2-ylethylsulfonylamino)pentanoic acid?
2-(2-pyridin-2-ylethylsulfonylamino)pentanoic acid has a molecular weight of 286.35 g/mol, XLogP of 0.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-ylethylsulfonylamino)pentanoic acid is sourced from PubChem (CID 60865090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).