methyl 6-(thiolan-2-ylmethylamino)pyrazine-2-carboxylate

C11H15N3O2S — CID 80585250

IUPACmethyl 6-(thiolan-2-ylmethylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NCC2CCCS2)n1
InChIInChI=1S/C11H15N3O2S/c1-16-11(15)9-6-12-7-10(14-9)13-5-8-3-2-4-17-8/h6-8H,2-5H2,1H3,(H,13,14)
InChIKeyUNSNZIJUXIRHST-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.57
Rot. Bonds4

About methyl 6-(thiolan-2-ylmethylamino)pyrazine-2-carboxylate

methyl 6-(thiolan-2-ylmethylamino)pyrazine-2-carboxylate (PubChem CID 80585250) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is methyl 6-(thiolan-2-ylmethylamino)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(thiolan-2-ylmethylamino)pyrazine-2-carboxylate
PubChem CID80585250
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Namemethyl 6-(thiolan-2-ylmethylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NCC2CCCS2)n1
InChIInChI=1S/C11H15N3O2S/c1-16-11(15)9-6-12-7-10(14-9)13-5-8-3-2-4-17-8/h6-8H,2-5H2,1H3,(H,13,14)
InChIKeyUNSNZIJUXIRHST-UHFFFAOYSA-N
XLogP1.57
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-(oxan-4-ylmethylamino)pyrazine-2-carboxylate
CID 66457320
methyl 6-[(4-methylcyclohexyl)methylamino]pyrazine-2-carboxylate
CID 66455933
6-ethoxy-N-(thiolan-2-ylmethyl)pyrazin-2-amine
CID 133374942
methyl 6-[(1-methylpiperidin-2-yl)methylamino]pyrazine-2-carboxylate
CID 66457311
methyl 6-(2-cyclopentylethylamino)pyrazine-2-carboxylate
CID 66456697
methyl 5-nitro-6-(thiolan-2-ylmethylamino)pyridine-2-carboxylate
CID 114404332
methyl 6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrazine-2-carboxylate
CID 66457492
methyl 6-(2-pyrrolidin-2-ylethylamino)pyrazine-2-carboxylate
CID 114794650
methyl 6-[3-(2-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxylate
CID 66457281
methyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyrazine-2-carboxylate
CID 66457291
3-[(6-methoxycarbonylpyrazin-2-yl)amino]propanoic acid
CID 66454375
methyl 6-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carboxylate
CID 104577442

Frequently Asked Questions

What is the IUPAC name of methyl 6-(thiolan-2-ylmethylamino)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(thiolan-2-ylmethylamino)pyrazine-2-carboxylate (CID 80585250) is methyl 6-(thiolan-2-ylmethylamino)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(thiolan-2-ylmethylamino)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(thiolan-2-ylmethylamino)pyrazine-2-carboxylate is COC(=O)c1cncc(NCC2CCCS2)n1.
What is the InChIKey of methyl 6-(thiolan-2-ylmethylamino)pyrazine-2-carboxylate?
The InChIKey is UNSNZIJUXIRHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-16-11(15)9-6-12-7-10(14-9)13-5-8-3-2-4-17-8/h6-8H,2-5H2,1H3,(H,13,14).
What are the key properties of methyl 6-(thiolan-2-ylmethylamino)pyrazine-2-carboxylate?
methyl 6-(thiolan-2-ylmethylamino)pyrazine-2-carboxylate has a molecular weight of 253.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(thiolan-2-ylmethylamino)pyrazine-2-carboxylate is sourced from PubChem (CID 80585250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).