2-[1-(2-pyridin-2-ylethylsulfonylamino)cyclopentyl]acetic acid

C14H20N2O4S — CID 64672949

IUPAC2-[1-(2-pyridin-2-ylethylsulfonylamino)cyclopentyl]acetic acid
SMILESO=C(O)CC1(NS(=O)(=O)CCc2ccccn2)CCCC1
InChIInChI=1S/C14H20N2O4S/c17-13(18)11-14(7-2-3-8-14)16-21(19,20)10-6-12-5-1-4-9-15-12/h1,4-5,9,16H,2-3,6-8,10-11H2,(H,17,18)
InChIKeyKDJNEFDBFORQFK-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.33
Rot. Bonds7

About 2-[1-(2-pyridin-2-ylethylsulfonylamino)cyclopentyl]acetic acid

2-[1-(2-pyridin-2-ylethylsulfonylamino)cyclopentyl]acetic acid (PubChem CID 64672949) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-[1-(2-pyridin-2-ylethylsulfonylamino)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-pyridin-2-ylethylsulfonylamino)cyclopentyl]acetic acid
PubChem CID64672949
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-[1-(2-pyridin-2-ylethylsulfonylamino)cyclopentyl]acetic acid
SMILESO=C(O)CC1(NS(=O)(=O)CCc2ccccn2)CCCC1
InChIInChI=1S/C14H20N2O4S/c17-13(18)11-14(7-2-3-8-14)16-21(19,20)10-6-12-5-1-4-9-15-12/h1,4-5,9,16H,2-3,6-8,10-11H2,(H,17,18)
InChIKeyKDJNEFDBFORQFK-UHFFFAOYSA-N
XLogP1.33
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanocyclopentyl)-2-pyridin-2-ylethanesulfonamide
CID 61123473
N-(3-methylpyrrolidin-3-yl)-2-pyridin-2-ylethanesulfonamide
CID 107423270
N-[1-(hydroxymethyl)cyclohexyl]-2-phenylethanesulfonamide
CID 62519905
2-[1-(pyridin-2-ylmethyl)cyclopropyl]acetic acid
CID 82403496
2-[1-(methylamino)cyclohexyl]-N-(2-pyridin-2-ylethyl)acetamide
CID 65240965
1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylic acid
CID 79424921
N-(4-cyano-1-methylpiperidin-4-yl)-2-pyridin-2-ylethanesulfonamide
CID 61123182
3-hydroxy-3-methyl-4-(2-pyridin-2-ylethylsulfonylamino)butanoic acid
CID 66002755
2-[1-(pyrimidin-2-ylamino)cyclohexyl]acetic acid
CID 64701184
5-(2-pyridin-2-ylethylsulfonylamino)hexanoic acid
CID 82854201
2-[1-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]cyclohexyl]acetic acid
CID 2738302
3,3-dimethyl-2-(2-pyridin-2-ylethylsulfonylamino)butanoic acid
CID 60864746

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-pyridin-2-ylethylsulfonylamino)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(2-pyridin-2-ylethylsulfonylamino)cyclopentyl]acetic acid (CID 64672949) is 2-[1-(2-pyridin-2-ylethylsulfonylamino)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(2-pyridin-2-ylethylsulfonylamino)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(2-pyridin-2-ylethylsulfonylamino)cyclopentyl]acetic acid is O=C(O)CC1(NS(=O)(=O)CCc2ccccn2)CCCC1.
What is the InChIKey of 2-[1-(2-pyridin-2-ylethylsulfonylamino)cyclopentyl]acetic acid?
The InChIKey is KDJNEFDBFORQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c17-13(18)11-14(7-2-3-8-14)16-21(19,20)10-6-12-5-1-4-9-15-12/h1,4-5,9,16H,2-3,6-8,10-11H2,(H,17,18).
What are the key properties of 2-[1-(2-pyridin-2-ylethylsulfonylamino)cyclopentyl]acetic acid?
2-[1-(2-pyridin-2-ylethylsulfonylamino)cyclopentyl]acetic acid has a molecular weight of 312.39 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-pyridin-2-ylethylsulfonylamino)cyclopentyl]acetic acid is sourced from PubChem (CID 64672949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).