4-(3,6-dimethylpyrazin-2-yl)thiomorpholine-3-carboxylic acid

C11H15N3O2S — CID 82904167

IUPAC4-(3,6-dimethylpyrazin-2-yl)thiomorpholine-3-carboxylic acid
SMILESCc1cnc(C)c(N2CCSCC2C(=O)O)n1
InChIInChI=1S/C11H15N3O2S/c1-7-5-12-8(2)10(13-7)14-3-4-17-6-9(14)11(15)16/h5,9H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyWWGIZGXRDMZNNK-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.10
Rot. Bonds2

About 4-(3,6-dimethylpyrazin-2-yl)thiomorpholine-3-carboxylic acid

4-(3,6-dimethylpyrazin-2-yl)thiomorpholine-3-carboxylic acid (PubChem CID 82904167) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 4-(3,6-dimethylpyrazin-2-yl)thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3,6-dimethylpyrazin-2-yl)thiomorpholine-3-carboxylic acid
PubChem CID82904167
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name4-(3,6-dimethylpyrazin-2-yl)thiomorpholine-3-carboxylic acid
SMILESCc1cnc(C)c(N2CCSCC2C(=O)O)n1
InChIInChI=1S/C11H15N3O2S/c1-7-5-12-8(2)10(13-7)14-3-4-17-6-9(14)11(15)16/h5,9H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyWWGIZGXRDMZNNK-UHFFFAOYSA-N
XLogP1.10
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dimethylpyrazin-2-yl)thiomorpholine-3-carboxylic acid?
The IUPAC name of 4-(3,6-dimethylpyrazin-2-yl)thiomorpholine-3-carboxylic acid (CID 82904167) is 4-(3,6-dimethylpyrazin-2-yl)thiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-(3,6-dimethylpyrazin-2-yl)thiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-(3,6-dimethylpyrazin-2-yl)thiomorpholine-3-carboxylic acid is Cc1cnc(C)c(N2CCSCC2C(=O)O)n1.
What is the InChIKey of 4-(3,6-dimethylpyrazin-2-yl)thiomorpholine-3-carboxylic acid?
The InChIKey is WWGIZGXRDMZNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-7-5-12-8(2)10(13-7)14-3-4-17-6-9(14)11(15)16/h5,9H,3-4,6H2,1-2H3,(H,15,16).
What are the key properties of 4-(3,6-dimethylpyrazin-2-yl)thiomorpholine-3-carboxylic acid?
4-(3,6-dimethylpyrazin-2-yl)thiomorpholine-3-carboxylic acid has a molecular weight of 253.33 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dimethylpyrazin-2-yl)thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 82904167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).