methyl 6-[(3-ethoxy-3-oxopropyl)sulfamoyl]pyrazine-2-carboxylate

C11H15N3O6S — CID 138015253

IUPACmethyl 6-[(3-ethoxy-3-oxopropyl)sulfamoyl]pyrazine-2-carboxylate
SMILESCCOC(=O)CCNS(=O)(=O)c1cncc(C(=O)OC)n1
InChIInChI=1S/C11H15N3O6S/c1-3-20-10(15)4-5-13-21(17,18)9-7-12-6-8(14-9)11(16)19-2/h6-7,13H,3-5H2,1-2H3
InChIKeyNKGYKLMCJBPTSF-UHFFFAOYSA-N
MW317.32 g/mol
LogP-0.51
Rot. Bonds7

About methyl 6-[(3-ethoxy-3-oxopropyl)sulfamoyl]pyrazine-2-carboxylate

methyl 6-[(3-ethoxy-3-oxopropyl)sulfamoyl]pyrazine-2-carboxylate (PubChem CID 138015253) has the molecular formula C11H15N3O6S and a molecular weight of 317.32 g/mol. Its IUPAC name is methyl 6-[(3-ethoxy-3-oxopropyl)sulfamoyl]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(3-ethoxy-3-oxopropyl)sulfamoyl]pyrazine-2-carboxylate
PubChem CID138015253
Molecular FormulaC11H15N3O6S
Molecular Weight317.32 g/mol
Exact Mass317.07
IUPAC Namemethyl 6-[(3-ethoxy-3-oxopropyl)sulfamoyl]pyrazine-2-carboxylate
SMILESCCOC(=O)CCNS(=O)(=O)c1cncc(C(=O)OC)n1
InChIInChI=1S/C11H15N3O6S/c1-3-20-10(15)4-5-13-21(17,18)9-7-12-6-8(14-9)11(16)19-2/h6-7,13H,3-5H2,1-2H3
InChIKeyNKGYKLMCJBPTSF-UHFFFAOYSA-N
XLogP-0.51
TPSA124.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-[(3-ethoxy-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872614
ethyl 3-[(6-chloro-3-pyridinyl)sulfonylamino]propanoate
CID 60730690
ethyl 3-[(2-amino-1,3-thiazol-5-yl)sulfonylamino]propanoate
CID 86629880
ethyl 3-[(4-fluorophenyl)sulfonylamino]propanoate
CID 3823010
ethyl 3-[[4-(aminomethyl)phenyl]sulfonylamino]propanoate
CID 69157083
methyl 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoate
CID 62062661
ethyl 3-(chloromethylsulfonylamino)propanoate
CID 63664767
ethyl 4-[(6-chloropyrazine-2-carbonyl)amino]butanoate
CID 103186993
methyl 6-(aminomethyl)pyrazine-2-carboxylate
CID 58009434
6-[(4-ethoxy-4-oxobutyl)sulfamoyl]pyridine-3-carboxylic acid
CID 64577123
ethyl 3-[[4-(cyanomethyl)phenyl]sulfonylamino]propanoate
CID 79196212
ethyl 3-[(3-methylphenyl)sulfonylamino]propanoate
CID 60643076

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3-ethoxy-3-oxopropyl)sulfamoyl]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[(3-ethoxy-3-oxopropyl)sulfamoyl]pyrazine-2-carboxylate (CID 138015253) is methyl 6-[(3-ethoxy-3-oxopropyl)sulfamoyl]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[(3-ethoxy-3-oxopropyl)sulfamoyl]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[(3-ethoxy-3-oxopropyl)sulfamoyl]pyrazine-2-carboxylate is CCOC(=O)CCNS(=O)(=O)c1cncc(C(=O)OC)n1.
What is the InChIKey of methyl 6-[(3-ethoxy-3-oxopropyl)sulfamoyl]pyrazine-2-carboxylate?
The InChIKey is NKGYKLMCJBPTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O6S/c1-3-20-10(15)4-5-13-21(17,18)9-7-12-6-8(14-9)11(16)19-2/h6-7,13H,3-5H2,1-2H3.
What are the key properties of methyl 6-[(3-ethoxy-3-oxopropyl)sulfamoyl]pyrazine-2-carboxylate?
methyl 6-[(3-ethoxy-3-oxopropyl)sulfamoyl]pyrazine-2-carboxylate has a molecular weight of 317.32 g/mol, XLogP of -0.51, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3-ethoxy-3-oxopropyl)sulfamoyl]pyrazine-2-carboxylate is sourced from PubChem (CID 138015253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).