methyl 6-(2-methyloxolan-3-yl)sulfanylpyrazine-2-carboxylate

C11H14N2O3S — CID 107747170

IUPACmethyl 6-(2-methyloxolan-3-yl)sulfanylpyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(SC2CCOC2C)n1
InChIInChI=1S/C11H14N2O3S/c1-7-9(3-4-16-7)17-10-6-12-5-8(13-10)11(14)15-2/h5-7,9H,3-4H2,1-2H3
InChIKeyVLVDCMCZWQLCRD-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.53
Rot. Bonds3

About methyl 6-(2-methyloxolan-3-yl)sulfanylpyrazine-2-carboxylate

methyl 6-(2-methyloxolan-3-yl)sulfanylpyrazine-2-carboxylate (PubChem CID 107747170) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is methyl 6-(2-methyloxolan-3-yl)sulfanylpyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-methyloxolan-3-yl)sulfanylpyrazine-2-carboxylate
PubChem CID107747170
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Namemethyl 6-(2-methyloxolan-3-yl)sulfanylpyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(SC2CCOC2C)n1
InChIInChI=1S/C11H14N2O3S/c1-7-9(3-4-16-7)17-10-6-12-5-8(13-10)11(14)15-2/h5-7,9H,3-4H2,1-2H3
InChIKeyVLVDCMCZWQLCRD-UHFFFAOYSA-N
XLogP1.53
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazine-2-carboxylate
CID 66451373
methyl 6-(4-chlorophenyl)sulfanylpyrazine-2-carboxylate
CID 66452135
methyl 6-(4-methoxyphenyl)sulfanylpyrazine-2-carboxylate
CID 66449986
methyl 2-[(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylate
CID 82736702
methyl 6-(oxan-4-ylmethylamino)pyrazine-2-carboxylate
CID 66457320
methyl 6-(aminomethyl)pyrazine-2-carboxylate
CID 58009434
2-(6-methoxycarbonylpyrazin-2-yl)sulfanylbutanoic acid
CID 105354909
methyl 6-bromopyrazine-2-carboxylate
CID 52988070
methyl 6-[(4-methylcyclohexyl)methylamino]pyrazine-2-carboxylate
CID 66455933
methyl 6-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylpyrazine-2-carboxylate
CID 114233017
methyl 6-(3-chloro-2-methylpropyl)sulfanylpyrazine-2-carboxylate
CID 66456341
methyl 6-(2-chlorophenyl)sulfanylpyrazine-2-carboxylate
CID 66451749

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-methyloxolan-3-yl)sulfanylpyrazine-2-carboxylate?
The IUPAC name of methyl 6-(2-methyloxolan-3-yl)sulfanylpyrazine-2-carboxylate (CID 107747170) is methyl 6-(2-methyloxolan-3-yl)sulfanylpyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(2-methyloxolan-3-yl)sulfanylpyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(2-methyloxolan-3-yl)sulfanylpyrazine-2-carboxylate is COC(=O)c1cncc(SC2CCOC2C)n1.
What is the InChIKey of methyl 6-(2-methyloxolan-3-yl)sulfanylpyrazine-2-carboxylate?
The InChIKey is VLVDCMCZWQLCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-7-9(3-4-16-7)17-10-6-12-5-8(13-10)11(14)15-2/h5-7,9H,3-4H2,1-2H3.
What are the key properties of methyl 6-(2-methyloxolan-3-yl)sulfanylpyrazine-2-carboxylate?
methyl 6-(2-methyloxolan-3-yl)sulfanylpyrazine-2-carboxylate has a molecular weight of 254.31 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-methyloxolan-3-yl)sulfanylpyrazine-2-carboxylate is sourced from PubChem (CID 107747170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).