methyl 5-(2,3-dimethylthiomorpholin-4-yl)pyrazine-2-carboxylate

C12H17N3O2S — CID 114059865

IUPACmethyl 5-(2,3-dimethylthiomorpholin-4-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(N2CCSC(C)C2C)cn1
InChIInChI=1S/C12H17N3O2S/c1-8-9(2)18-5-4-15(8)11-7-13-10(6-14-11)12(16)17-3/h6-9H,4-5H2,1-3H3
InChIKeyCKBDFLJOQPFPPL-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.59
Rot. Bonds2

About methyl 5-(2,3-dimethylthiomorpholin-4-yl)pyrazine-2-carboxylate

methyl 5-(2,3-dimethylthiomorpholin-4-yl)pyrazine-2-carboxylate (PubChem CID 114059865) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is methyl 5-(2,3-dimethylthiomorpholin-4-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2,3-dimethylthiomorpholin-4-yl)pyrazine-2-carboxylate
PubChem CID114059865
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Namemethyl 5-(2,3-dimethylthiomorpholin-4-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(N2CCSC(C)C2C)cn1
InChIInChI=1S/C12H17N3O2S/c1-8-9(2)18-5-4-15(8)11-7-13-10(6-14-11)12(16)17-3/h6-9H,4-5H2,1-3H3
InChIKeyCKBDFLJOQPFPPL-UHFFFAOYSA-N
XLogP1.59
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-(2,3-dimethylpiperidin-1-yl)pyrazine-2-carboxylate
CID 114059784
methyl 5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxylate
CID 104696638
methyl 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrazine-2-carboxylate
CID 114059771
methyl 5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine-2-carboxylate
CID 114059884
methyl 5-(1,3-dihydroisoindol-2-yl)pyrazine-2-carboxylate
CID 114059785
methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate
CID 114059817
methyl 5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxylate
CID 166507892
methyl 5-(3-acetamidopyrrolidin-1-yl)pyrazine-2-carboxylate
CID 114059854
methyl 2-[(2,3-dimethylthiomorpholin-4-yl)methyl]pyridine-3-carboxylate
CID 114198562
methyl 5-(triazol-1-yl)pyrazine-2-carboxylate
CID 58449150
2,3-dimethyl-4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]thiomorpholine
CID 133309167
methyl 5-[(2R)-4-[4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate
CID 59191557

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,3-dimethylthiomorpholin-4-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 5-(2,3-dimethylthiomorpholin-4-yl)pyrazine-2-carboxylate (CID 114059865) is methyl 5-(2,3-dimethylthiomorpholin-4-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-(2,3-dimethylthiomorpholin-4-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-(2,3-dimethylthiomorpholin-4-yl)pyrazine-2-carboxylate is COC(=O)c1cnc(N2CCSC(C)C2C)cn1.
What is the InChIKey of methyl 5-(2,3-dimethylthiomorpholin-4-yl)pyrazine-2-carboxylate?
The InChIKey is CKBDFLJOQPFPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-8-9(2)18-5-4-15(8)11-7-13-10(6-14-11)12(16)17-3/h6-9H,4-5H2,1-3H3.
What are the key properties of methyl 5-(2,3-dimethylthiomorpholin-4-yl)pyrazine-2-carboxylate?
methyl 5-(2,3-dimethylthiomorpholin-4-yl)pyrazine-2-carboxylate has a molecular weight of 267.35 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2,3-dimethylthiomorpholin-4-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 114059865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).