methyl 6-[methyl(2-methylsulfonylethyl)amino]pyrazine-2-carboxylate

C10H15N3O4S — CID 79858166

IUPACmethyl 6-[methyl(2-methylsulfonylethyl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N(C)CCS(C)(=O)=O)n1
InChIInChI=1S/C10H15N3O4S/c1-13(4-5-18(3,15)16)9-7-11-6-8(12-9)10(14)17-2/h6-7H,4-5H2,1-3H3
InChIKeyVPUAUPFLLHXELN-UHFFFAOYSA-N
MW273.31 g/mol
LogP-0.26
Rot. Bonds5

About methyl 6-[methyl(2-methylsulfonylethyl)amino]pyrazine-2-carboxylate

methyl 6-[methyl(2-methylsulfonylethyl)amino]pyrazine-2-carboxylate (PubChem CID 79858166) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is methyl 6-[methyl(2-methylsulfonylethyl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[methyl(2-methylsulfonylethyl)amino]pyrazine-2-carboxylate
PubChem CID79858166
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Namemethyl 6-[methyl(2-methylsulfonylethyl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N(C)CCS(C)(=O)=O)n1
InChIInChI=1S/C10H15N3O4S/c1-13(4-5-18(3,15)16)9-7-11-6-8(12-9)10(14)17-2/h6-7H,4-5H2,1-3H3
InChIKeyVPUAUPFLLHXELN-UHFFFAOYSA-N
XLogP-0.26
TPSA89.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 6-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate
CID 66456426
6-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)pyrazine-2,6-diamine
CID 78924800
methyl 6-[[1-(hydroxymethyl)cyclopropyl]methyl-methylamino]pyrazine-2-carboxylate
CID 126816380
methyl 6-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazine-2-carboxylate
CID 66457852
methyl 6-[(3-chlorophenyl)methyl-methylamino]pyrazine-2-carboxylate
CID 66458224
methyl 6-[(3-methoxyphenyl)methyl-methylamino]pyrazine-2-carboxylate
CID 66455869
methyl 6-[bis(2-methoxy-2-oxoethyl)amino]pyrazine-2-carboxylate
CID 66456232
methyl 6-[2-aminoethyl(ethyl)amino]pyrazine-2-carboxylate
CID 114900602
methyl 6-[1-methoxypropan-2-yl(methyl)amino]pyrazine-2-carboxylate
CID 66456064
methyl 6-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]pyrazine-2-carboxylate
CID 66458598
methyl 6-[(5-bromothiophen-3-yl)methyl-methylamino]pyrazine-2-carboxylate
CID 66452032
methyl 6-(4-cyano-N-methylanilino)pyrazine-2-carboxylate
CID 66456266

Frequently Asked Questions

What is the IUPAC name of methyl 6-[methyl(2-methylsulfonylethyl)amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[methyl(2-methylsulfonylethyl)amino]pyrazine-2-carboxylate (CID 79858166) is methyl 6-[methyl(2-methylsulfonylethyl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[methyl(2-methylsulfonylethyl)amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[methyl(2-methylsulfonylethyl)amino]pyrazine-2-carboxylate is COC(=O)c1cncc(N(C)CCS(C)(=O)=O)n1.
What is the InChIKey of methyl 6-[methyl(2-methylsulfonylethyl)amino]pyrazine-2-carboxylate?
The InChIKey is VPUAUPFLLHXELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-13(4-5-18(3,15)16)9-7-11-6-8(12-9)10(14)17-2/h6-7H,4-5H2,1-3H3.
What are the key properties of methyl 6-[methyl(2-methylsulfonylethyl)amino]pyrazine-2-carboxylate?
methyl 6-[methyl(2-methylsulfonylethyl)amino]pyrazine-2-carboxylate has a molecular weight of 273.31 g/mol, XLogP of -0.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[methyl(2-methylsulfonylethyl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 79858166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).