2-methyl-6-methylsulfanyl-3,5-dihydro-2H-pyrazine-4-carboxylic acid

C7H12N2O2S — CID 155173329

IUPAC2-methyl-6-methylsulfanyl-3,5-dihydro-2H-pyrazine-4-carboxylic acid
SMILESCSC1=NC(C)CN(C(=O)O)C1
InChIInChI=1S/C7H12N2O2S/c1-5-3-9(7(10)11)4-6(8-5)12-2/h5H,3-4H2,1-2H3,(H,10,11)
InChIKeyCUDOKYKYFDTKHQ-UHFFFAOYSA-N
MW188.25 g/mol
LogP1.13
Rot. Bonds

About 2-methyl-6-methylsulfanyl-3,5-dihydro-2H-pyrazine-4-carboxylic acid

2-methyl-6-methylsulfanyl-3,5-dihydro-2H-pyrazine-4-carboxylic acid (PubChem CID 155173329) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 2-methyl-6-methylsulfanyl-3,5-dihydro-2H-pyrazine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-methylsulfanyl-3,5-dihydro-2H-pyrazine-4-carboxylic acid
PubChem CID155173329
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name2-methyl-6-methylsulfanyl-3,5-dihydro-2H-pyrazine-4-carboxylic acid
SMILESCSC1=NC(C)CN(C(=O)O)C1
InChIInChI=1S/C7H12N2O2S/c1-5-3-9(7(10)11)4-6(8-5)12-2/h5H,3-4H2,1-2H3,(H,10,11)
InChIKeyCUDOKYKYFDTKHQ-UHFFFAOYSA-N
XLogP1.13
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid
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2,4-dimethyl-4,5-dihydroimidazole-1-carbonyl chloride
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1-(3,4-dihydroxypyrrolidin-1-yl)-2-methylsulfanylethanone
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3-methylpiperidine-1-carboxylic acid
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CID 64603746

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-methylsulfanyl-3,5-dihydro-2H-pyrazine-4-carboxylic acid?
The IUPAC name of 2-methyl-6-methylsulfanyl-3,5-dihydro-2H-pyrazine-4-carboxylic acid (CID 155173329) is 2-methyl-6-methylsulfanyl-3,5-dihydro-2H-pyrazine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-6-methylsulfanyl-3,5-dihydro-2H-pyrazine-4-carboxylic acid?
The canonical SMILES for 2-methyl-6-methylsulfanyl-3,5-dihydro-2H-pyrazine-4-carboxylic acid is CSC1=NC(C)CN(C(=O)O)C1.
What is the InChIKey of 2-methyl-6-methylsulfanyl-3,5-dihydro-2H-pyrazine-4-carboxylic acid?
The InChIKey is CUDOKYKYFDTKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-5-3-9(7(10)11)4-6(8-5)12-2/h5H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 2-methyl-6-methylsulfanyl-3,5-dihydro-2H-pyrazine-4-carboxylic acid?
2-methyl-6-methylsulfanyl-3,5-dihydro-2H-pyrazine-4-carboxylic acid has a molecular weight of 188.25 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-methylsulfanyl-3,5-dihydro-2H-pyrazine-4-carboxylic acid is sourced from PubChem (CID 155173329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).