2-[ethyl(2-pyridin-4-ylethylsulfonyl)amino]acetic acid

C11H16N2O4S — CID 54900131

IUPAC2-[ethyl(2-pyridin-4-ylethylsulfonyl)amino]acetic acid
SMILESCCN(CC(=O)O)S(=O)(=O)CCc1ccncc1
InChIInChI=1S/C11H16N2O4S/c1-2-13(9-11(14)15)18(16,17)8-5-10-3-6-12-7-4-10/h3-4,6-7H,2,5,8-9H2,1H3,(H,14,15)
InChIKeyOEGFWLXPGPALJV-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.36
Rot. Bonds7

About 2-[ethyl(2-pyridin-4-ylethylsulfonyl)amino]acetic acid

2-[ethyl(2-pyridin-4-ylethylsulfonyl)amino]acetic acid (PubChem CID 54900131) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[ethyl(2-pyridin-4-ylethylsulfonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl(2-pyridin-4-ylethylsulfonyl)amino]acetic acid
PubChem CID54900131
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-[ethyl(2-pyridin-4-ylethylsulfonyl)amino]acetic acid
SMILESCCN(CC(=O)O)S(=O)(=O)CCc1ccncc1
InChIInChI=1S/C11H16N2O4S/c1-2-13(9-11(14)15)18(16,17)8-5-10-3-6-12-7-4-10/h3-4,6-7H,2,5,8-9H2,1H3,(H,14,15)
InChIKeyOEGFWLXPGPALJV-UHFFFAOYSA-N
XLogP0.36
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-(2-hydroxyethyl)-2-pyridin-4-ylethanesulfonamide
CID 61448116
2-[ethyl(propylsulfonyl)amino]acetic acid
CID 61011722
3-[tert-butyl(2-pyridin-4-ylethylsulfonyl)amino]propanoic acid
CID 60891514
4-(2-ethylsulfonylethyl)pyridine
CID 59155282
2-(2-pyridin-4-ylethylsulfonyl)acetic acid
CID 60891673
N-ethyl-N-(piperidin-3-ylmethyl)-2-pyridin-4-ylethanesulfonamide
CID 106631087
N-ethyl-N-(3-hydroxyphenyl)-2-pyridin-4-ylethanesulfonamide
CID 107736591
2-ethyl-2-(2-pyridin-4-ylethylsulfonylamino)butanoic acid
CID 79806634
4-[[ethyl(sulfamoyl)amino]methyl]pyridine
CID 112688980
N-ethyl-N-piperidin-4-yl-2-pyridin-4-ylethanesulfonamide
CID 60890944
acetic acid;3-pyridin-4-ylpropanoic acid
CID 71346900
hydroxy-oxo-(2-pyridin-4-ylethyl)-sulfanylidene-λ6-sulfane
CID 22944914

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-pyridin-4-ylethylsulfonyl)amino]acetic acid?
The IUPAC name of 2-[ethyl(2-pyridin-4-ylethylsulfonyl)amino]acetic acid (CID 54900131) is 2-[ethyl(2-pyridin-4-ylethylsulfonyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl(2-pyridin-4-ylethylsulfonyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl(2-pyridin-4-ylethylsulfonyl)amino]acetic acid is CCN(CC(=O)O)S(=O)(=O)CCc1ccncc1.
What is the InChIKey of 2-[ethyl(2-pyridin-4-ylethylsulfonyl)amino]acetic acid?
The InChIKey is OEGFWLXPGPALJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-2-13(9-11(14)15)18(16,17)8-5-10-3-6-12-7-4-10/h3-4,6-7H,2,5,8-9H2,1H3,(H,14,15).
What are the key properties of 2-[ethyl(2-pyridin-4-ylethylsulfonyl)amino]acetic acid?
2-[ethyl(2-pyridin-4-ylethylsulfonyl)amino]acetic acid has a molecular weight of 272.33 g/mol, XLogP of 0.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-pyridin-4-ylethylsulfonyl)amino]acetic acid is sourced from PubChem (CID 54900131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).