methyl 3-[ethyl(methylsulfonyl)amino]pyrazine-2-carboxylate

C9H13N3O4S — CID 174683823

IUPACmethyl 3-[ethyl(methylsulfonyl)amino]pyrazine-2-carboxylate
SMILESCCN(c1nccnc1C(=O)OC)S(C)(=O)=O
InChIInChI=1S/C9H13N3O4S/c1-4-12(17(3,14)15)8-7(9(13)16-2)10-5-6-11-8/h5-6H,4H2,1-3H3
InChIKeyJQDALFUMLOPGQH-UHFFFAOYSA-N
MW259.29 g/mol
LogP0.05
Rot. Bonds4

About methyl 3-[ethyl(methylsulfonyl)amino]pyrazine-2-carboxylate

methyl 3-[ethyl(methylsulfonyl)amino]pyrazine-2-carboxylate (PubChem CID 174683823) has the molecular formula C9H13N3O4S and a molecular weight of 259.29 g/mol. Its IUPAC name is methyl 3-[ethyl(methylsulfonyl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[ethyl(methylsulfonyl)amino]pyrazine-2-carboxylate
PubChem CID174683823
Molecular FormulaC9H13N3O4S
Molecular Weight259.29 g/mol
Exact Mass259.06
IUPAC Namemethyl 3-[ethyl(methylsulfonyl)amino]pyrazine-2-carboxylate
SMILESCCN(c1nccnc1C(=O)OC)S(C)(=O)=O
InChIInChI=1S/C9H13N3O4S/c1-4-12(17(3,14)15)8-7(9(13)16-2)10-5-6-11-8/h5-6H,4H2,1-3H3
InChIKeyJQDALFUMLOPGQH-UHFFFAOYSA-N
XLogP0.05
TPSA89.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[2,6-bis(trifluoromethyl)phenyl]methylsulfonyl-(2,2-difluoroethyl)amino]pyrazine-2-carboxylate
CID 87086574
methyl 3-[chloromethyl-(2-fluoro-4-methylsulfonylanilino)amino]pyrazine-2-carboxylate
CID 172503424
methyl 3-[(2-chloro-3,6-difluorophenyl)methylsulfonyl-methylamino]pyrazine-2-carboxylate
CID 59623764
ethyl 3-[ethyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]pyrazine-2-carboxylate
CID 66639656
methyl 3-prop-1-en-2-ylpyrazine-2-carboxylate
CID 167450839
methyl 5-[methyl(methylsulfonyl)amino]-2H-triazole-4-carboxylate
CID 67215267
methyl 3-(2-methoxyethoxy)pyrazine-2-carboxylate
CID 141103984
methyl 2-(diethylamino)-3-nitropyridine-4-carboxylate
CID 165495545
methyl 3-(2-fluoroethoxy)pyrazine-2-carboxylate
CID 118273108
3-iodopyrazine-2-carboxylic acid;methyl 3-iodopyrazine-2-carboxylate
CID 163762447
3-[cyclopropyl(ethyl)amino]pyrazine-2-carboxylic acid
CID 62702336
methyl 8-hydroxy-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridine-7-carboxylate
CID 59645218

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl(methylsulfonyl)amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 3-[ethyl(methylsulfonyl)amino]pyrazine-2-carboxylate (CID 174683823) is methyl 3-[ethyl(methylsulfonyl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-[ethyl(methylsulfonyl)amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 3-[ethyl(methylsulfonyl)amino]pyrazine-2-carboxylate is CCN(c1nccnc1C(=O)OC)S(C)(=O)=O.
What is the InChIKey of methyl 3-[ethyl(methylsulfonyl)amino]pyrazine-2-carboxylate?
The InChIKey is JQDALFUMLOPGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4S/c1-4-12(17(3,14)15)8-7(9(13)16-2)10-5-6-11-8/h5-6H,4H2,1-3H3.
What are the key properties of methyl 3-[ethyl(methylsulfonyl)amino]pyrazine-2-carboxylate?
methyl 3-[ethyl(methylsulfonyl)amino]pyrazine-2-carboxylate has a molecular weight of 259.29 g/mol, XLogP of 0.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl(methylsulfonyl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 174683823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).