3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]pyrazine-2-carboxylic acid

C9H11N3O6S — CID 55167276

IUPAC3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]pyrazine-2-carboxylic acid
SMILESCOC(=O)C(C)S(=O)(=O)Nc1nccnc1C(=O)O
InChIInChI=1S/C9H11N3O6S/c1-5(9(15)18-2)19(16,17)12-7-6(8(13)14)10-3-4-11-7/h3-5H,1-2H3,(H,11,12)(H,13,14)
InChIKeyUEEQBWPBIKTNFA-UHFFFAOYSA-N
MW289.27 g/mol
LogP-0.52
Rot. Bonds5

About 3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]pyrazine-2-carboxylic acid

3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]pyrazine-2-carboxylic acid (PubChem CID 55167276) has the molecular formula C9H11N3O6S and a molecular weight of 289.27 g/mol. Its IUPAC name is 3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]pyrazine-2-carboxylic acid
PubChem CID55167276
Molecular FormulaC9H11N3O6S
Molecular Weight289.27 g/mol
Exact Mass289.04
IUPAC Name3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]pyrazine-2-carboxylic acid
SMILESCOC(=O)C(C)S(=O)(=O)Nc1nccnc1C(=O)O
InChIInChI=1S/C9H11N3O6S/c1-5(9(15)18-2)19(16,17)12-7-6(8(13)14)10-3-4-11-7/h3-5H,1-2H3,(H,11,12)(H,13,14)
InChIKeyUEEQBWPBIKTNFA-UHFFFAOYSA-N
XLogP-0.52
TPSA135.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-methylbutylsulfonylamino)pyrazine-2-carboxylic acid
CID 63857683
3-(2-methoxyethylsulfonylamino)pyrazine-2-carboxylic acid
CID 55167275
3-(propylsulfonylamino)pyrazine-2-carboxylic acid
CID 63260393
3-(trifluoromethylsulfonylamino)pyrazine-2-carboxylic acid
CID 63259740
3-(prop-2-enylsulfonylamino)pyrazine-2-carboxylic acid
CID 79672489
3-(propan-2-yloxycarbonylamino)pyrazine-2-carboxylic acid
CID 63259868
4-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82880853
3-acetamidopyrazine-2-carboxylic acid
CID 10511603
3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pyrazine-2-carboxylic acid
CID 63260055
3,6-dichloro-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]benzoic acid
CID 107049509
3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid
CID 106197957
3-[(4-ethylphenyl)sulfonylamino]pyrazine-2-carboxylic acid
CID 63260100

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]pyrazine-2-carboxylic acid (CID 55167276) is 3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]pyrazine-2-carboxylic acid is COC(=O)C(C)S(=O)(=O)Nc1nccnc1C(=O)O.
What is the InChIKey of 3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]pyrazine-2-carboxylic acid?
The InChIKey is UEEQBWPBIKTNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O6S/c1-5(9(15)18-2)19(16,17)12-7-6(8(13)14)10-3-4-11-7/h3-5H,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]pyrazine-2-carboxylic acid?
3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]pyrazine-2-carboxylic acid has a molecular weight of 289.27 g/mol, XLogP of -0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 55167276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).