3-(2-methoxyethylsulfonylamino)pyrazine-2-carboxylic acid

C8H11N3O5S — CID 55167275

IUPAC3-(2-methoxyethylsulfonylamino)pyrazine-2-carboxylic acid
SMILESCOCCS(=O)(=O)Nc1nccnc1C(=O)O
InChIInChI=1S/C8H11N3O5S/c1-16-4-5-17(14,15)11-7-6(8(12)13)9-2-3-10-7/h2-3H,4-5H2,1H3,(H,10,11)(H,12,13)
InChIKeyLQDCPPKHMIHSGJ-UHFFFAOYSA-N
MW261.26 g/mol
LogP-0.44
Rot. Bonds6

About 3-(2-methoxyethylsulfonylamino)pyrazine-2-carboxylic acid

3-(2-methoxyethylsulfonylamino)pyrazine-2-carboxylic acid (PubChem CID 55167275) has the molecular formula C8H11N3O5S and a molecular weight of 261.26 g/mol. Its IUPAC name is 3-(2-methoxyethylsulfonylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-methoxyethylsulfonylamino)pyrazine-2-carboxylic acid
PubChem CID55167275
Molecular FormulaC8H11N3O5S
Molecular Weight261.26 g/mol
Exact Mass261.04
IUPAC Name3-(2-methoxyethylsulfonylamino)pyrazine-2-carboxylic acid
SMILESCOCCS(=O)(=O)Nc1nccnc1C(=O)O
InChIInChI=1S/C8H11N3O5S/c1-16-4-5-17(14,15)11-7-6(8(12)13)9-2-3-10-7/h2-3H,4-5H2,1H3,(H,10,11)(H,12,13)
InChIKeyLQDCPPKHMIHSGJ-UHFFFAOYSA-N
XLogP-0.44
TPSA118.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(propylsulfonylamino)pyrazine-2-carboxylic acid
CID 63260393
3-(3-methylbutylsulfonylamino)pyrazine-2-carboxylic acid
CID 63857683
3-(prop-2-enylsulfonylamino)pyrazine-2-carboxylic acid
CID 79672489
3-[(4-fluorophenyl)methylsulfonylamino]pyrazine-2-carboxylic acid
CID 63260397
3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]pyrazine-2-carboxylic acid
CID 55167276
3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid
CID 106197957
3-[(4-ethylphenyl)sulfonylamino]pyrazine-2-carboxylic acid
CID 63260100
3-(trifluoromethylsulfonylamino)pyrazine-2-carboxylic acid
CID 63259740
3-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxylic acid
CID 62710099
3-[2-(dimethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid
CID 114176023
3-acetamidopyrazine-2-carboxylic acid
CID 10511603
3-[(3-methoxyphenyl)methylamino]pyrazine-2-carboxylic acid
CID 62709440

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylsulfonylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(2-methoxyethylsulfonylamino)pyrazine-2-carboxylic acid (CID 55167275) is 3-(2-methoxyethylsulfonylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(2-methoxyethylsulfonylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(2-methoxyethylsulfonylamino)pyrazine-2-carboxylic acid is COCCS(=O)(=O)Nc1nccnc1C(=O)O.
What is the InChIKey of 3-(2-methoxyethylsulfonylamino)pyrazine-2-carboxylic acid?
The InChIKey is LQDCPPKHMIHSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O5S/c1-16-4-5-17(14,15)11-7-6(8(12)13)9-2-3-10-7/h2-3H,4-5H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 3-(2-methoxyethylsulfonylamino)pyrazine-2-carboxylic acid?
3-(2-methoxyethylsulfonylamino)pyrazine-2-carboxylic acid has a molecular weight of 261.26 g/mol, XLogP of -0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylsulfonylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 55167275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).