methyl 6-[(1,1-dioxothiolan-3-yl)-methylamino]pyrazine-2-carboxylate

C11H15N3O4S — CID 66457424

IUPACmethyl 6-[(1,1-dioxothiolan-3-yl)-methylamino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N(C)C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C11H15N3O4S/c1-14(8-3-4-19(16,17)7-8)10-6-12-5-9(13-10)11(15)18-2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyJGNLXIHHPAWEHE-UHFFFAOYSA-N
MW285.32 g/mol
LogP-0.11
Rot. Bonds3

About methyl 6-[(1,1-dioxothiolan-3-yl)-methylamino]pyrazine-2-carboxylate

methyl 6-[(1,1-dioxothiolan-3-yl)-methylamino]pyrazine-2-carboxylate (PubChem CID 66457424) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is methyl 6-[(1,1-dioxothiolan-3-yl)-methylamino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(1,1-dioxothiolan-3-yl)-methylamino]pyrazine-2-carboxylate
PubChem CID66457424
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Namemethyl 6-[(1,1-dioxothiolan-3-yl)-methylamino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N(C)C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C11H15N3O4S/c1-14(8-3-4-19(16,17)7-8)10-6-12-5-9(13-10)11(15)18-2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyJGNLXIHHPAWEHE-UHFFFAOYSA-N
XLogP-0.11
TPSA89.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 6-[(1,1-dioxothiolan-3-yl)-methylamino]pyrazine-2-carboxylate with MolForge

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Related Compounds

methyl 6-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxylate
CID 66457874
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-propan-2-ylpyrazine-2-carboxamide
CID 109271203
6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazine-3-carboxylic acid
CID 54919450
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-4-methoxybenzamide
CID 113013683
5-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-3-amine
CID 104531579
N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-3-carboxamide
CID 109237153
methyl 4-[[(3S)-1,1-dioxothiolan-3-yl]-methylsulfamoyl]benzoate
CID 26526849
6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109120269
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-phenylpyrazine-2-carboxamide
CID 109285400
N-tert-butyl-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazine-3-carboxamide
CID 109122927
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]cyclopropanecarboxamide
CID 113013665
methyl 6-[azetidin-3-yl(propyl)amino]pyrazine-2-carboxylate
CID 66458156

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(1,1-dioxothiolan-3-yl)-methylamino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[(1,1-dioxothiolan-3-yl)-methylamino]pyrazine-2-carboxylate (CID 66457424) is methyl 6-[(1,1-dioxothiolan-3-yl)-methylamino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[(1,1-dioxothiolan-3-yl)-methylamino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[(1,1-dioxothiolan-3-yl)-methylamino]pyrazine-2-carboxylate is COC(=O)c1cncc(N(C)C2CCS(=O)(=O)C2)n1.
What is the InChIKey of methyl 6-[(1,1-dioxothiolan-3-yl)-methylamino]pyrazine-2-carboxylate?
The InChIKey is JGNLXIHHPAWEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-14(8-3-4-19(16,17)7-8)10-6-12-5-9(13-10)11(15)18-2/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of methyl 6-[(1,1-dioxothiolan-3-yl)-methylamino]pyrazine-2-carboxylate?
methyl 6-[(1,1-dioxothiolan-3-yl)-methylamino]pyrazine-2-carboxylate has a molecular weight of 285.32 g/mol, XLogP of -0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(1,1-dioxothiolan-3-yl)-methylamino]pyrazine-2-carboxylate is sourced from PubChem (CID 66457424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).