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

C10H13N3O4S — CID 66457874

IUPACmethyl 6-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NC2CCS(=O)(=O)C2)n1
InChIInChI=1S/C10H13N3O4S/c1-17-10(14)8-4-11-5-9(13-8)12-7-2-3-18(15,16)6-7/h4-5,7H,2-3,6H2,1H3,(H,12,13)
InChIKeySYBKEMSJLHTQRV-UHFFFAOYSA-N
MW271.30 g/mol
LogP-0.14
Rot. Bonds3

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

methyl 6-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxylate (PubChem CID 66457874) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is methyl 6-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxylate
PubChem CID66457874
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC Namemethyl 6-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NC2CCS(=O)(=O)C2)n1
InChIInChI=1S/C10H13N3O4S/c1-17-10(14)8-4-11-5-9(13-8)12-7-2-3-18(15,16)6-7/h4-5,7H,2-3,6H2,1H3,(H,12,13)
InChIKeySYBKEMSJLHTQRV-UHFFFAOYSA-N
XLogP-0.14
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

methyl 6-(pyrrolidin-3-ylamino)pyrazine-2-carboxylate
CID 66455769
methyl 6-[(1-methylpiperidin-3-yl)amino]pyrazine-2-carboxylate
CID 66455915
2-N-(1,1-dioxothiolan-3-yl)-6-N-propylpyrazine-2,6-diamine
CID 80786198
methyl 6-[(1,1-dioxothiolan-3-yl)-methylamino]pyrazine-2-carboxylate
CID 66457424
methyl 6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrazine-2-carboxylate
CID 66457314
methyl 6-[(2,2-dimethyloxan-4-yl)amino]pyrazine-2-carboxylate
CID 83028949
methyl 6-[(2-hydroxycycloheptyl)amino]pyrazine-2-carboxylate
CID 113394825
methyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyrazine-2-carboxylate
CID 79362831
N-(1,1-dioxothiolan-3-yl)-5-methoxypyridin-2-amine
CID 106503952
methyl 6-[(1,1-dioxothian-4-yl)amino]pyridazine-3-carboxylate
CID 60791668
methyl 6-[(2,2-dimethylcyclopentyl)amino]pyrazine-2-carboxylate
CID 79871951
methyl 6-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carboxylate
CID 114504550

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxylate (CID 66457874) is methyl 6-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxylate is COC(=O)c1cncc(NC2CCS(=O)(=O)C2)n1.
What is the InChIKey of methyl 6-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxylate?
The InChIKey is SYBKEMSJLHTQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S/c1-17-10(14)8-4-11-5-9(13-8)12-7-2-3-18(15,16)6-7/h4-5,7H,2-3,6H2,1H3,(H,12,13).
What are the key properties of methyl 6-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxylate?
methyl 6-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxylate has a molecular weight of 271.30 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 66457874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).