methyl 6-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carboxylate

C9H14N4O4S — CID 114175311

IUPACmethyl 6-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carboxylate
SMILESCNS(=O)(=O)CCNc1cncc(C(=O)OC)n1
InChIInChI=1S/C9H14N4O4S/c1-10-18(15,16)4-3-12-8-6-11-5-7(13-8)9(14)17-2/h5-6,10H,3-4H2,1-2H3,(H,12,13)
InChIKeyRVOJECAUGYTQPI-UHFFFAOYSA-N
MW274.30 g/mol
LogP-0.78
Rot. Bonds6

About methyl 6-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carboxylate

methyl 6-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carboxylate (PubChem CID 114175311) has the molecular formula C9H14N4O4S and a molecular weight of 274.30 g/mol. Its IUPAC name is methyl 6-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carboxylate
PubChem CID114175311
Molecular FormulaC9H14N4O4S
Molecular Weight274.30 g/mol
Exact Mass274.07
IUPAC Namemethyl 6-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carboxylate
SMILESCNS(=O)(=O)CCNc1cncc(C(=O)OC)n1
InChIInChI=1S/C9H14N4O4S/c1-10-18(15,16)4-3-12-8-6-11-5-7(13-8)9(14)17-2/h5-6,10H,3-4H2,1-2H3,(H,12,13)
InChIKeyRVOJECAUGYTQPI-UHFFFAOYSA-N
XLogP-0.78
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(6-methoxycarbonylpyrazin-2-yl)amino]propanoic acid
CID 66454375
2-[(6-aminopyrazin-2-yl)amino]-N-methylethanesulfonamide
CID 106343062
methyl 6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazine-2-carboxylate
CID 66458107
6-[2-(ethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid
CID 106339900
methyl 6-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylate
CID 113247403
methyl 6-(2-cyclopentylethylamino)pyrazine-2-carboxylate
CID 66456697
methyl 6-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxylate
CID 66458088
methyl 6-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate
CID 66457279
methyl 6-(2-pyridin-3-ylethylamino)pyrazine-2-carboxylate
CID 66456102
methyl 6-[2-(2-methylphenyl)ethylamino]pyrazine-2-carboxylate
CID 79749113
methyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyrazine-2-carboxylate
CID 66457291
N-methyl-2-(pyrazin-2-ylamino)ethanesulfonamide
CID 106337907

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carboxylate (CID 114175311) is methyl 6-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carboxylate is CNS(=O)(=O)CCNc1cncc(C(=O)OC)n1.
What is the InChIKey of methyl 6-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carboxylate?
The InChIKey is RVOJECAUGYTQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4S/c1-10-18(15,16)4-3-12-8-6-11-5-7(13-8)9(14)17-2/h5-6,10H,3-4H2,1-2H3,(H,12,13).
What are the key properties of methyl 6-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carboxylate?
methyl 6-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carboxylate has a molecular weight of 274.30 g/mol, XLogP of -0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carboxylate is sourced from PubChem (CID 114175311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).