3-[(2-methyl-2-methylsulfonylpropyl)amino]pyrazine-2-carboxylic acid

C10H15N3O4S — CID 79555289

IUPAC3-[(2-methyl-2-methylsulfonylpropyl)amino]pyrazine-2-carboxylic acid
SMILESCC(C)(CNc1nccnc1C(=O)O)S(C)(=O)=O
InChIInChI=1S/C10H15N3O4S/c1-10(2,18(3,16)17)6-13-8-7(9(14)15)11-4-5-12-8/h4-5H,6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyNJZQCHJUPDRSKE-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.41
Rot. Bonds5

About 3-[(2-methyl-2-methylsulfonylpropyl)amino]pyrazine-2-carboxylic acid

3-[(2-methyl-2-methylsulfonylpropyl)amino]pyrazine-2-carboxylic acid (PubChem CID 79555289) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-[(2-methyl-2-methylsulfonylpropyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methyl-2-methylsulfonylpropyl)amino]pyrazine-2-carboxylic acid
PubChem CID79555289
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name3-[(2-methyl-2-methylsulfonylpropyl)amino]pyrazine-2-carboxylic acid
SMILESCC(C)(CNc1nccnc1C(=O)O)S(C)(=O)=O
InChIInChI=1S/C10H15N3O4S/c1-10(2,18(3,16)17)6-13-8-7(9(14)15)11-4-5-12-8/h4-5H,6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyNJZQCHJUPDRSKE-UHFFFAOYSA-N
XLogP0.41
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-2-methylsulfonylpropyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(2-methyl-2-methylsulfonylpropyl)amino]pyrazine-2-carboxylic acid (CID 79555289) is 3-[(2-methyl-2-methylsulfonylpropyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(2-methyl-2-methylsulfonylpropyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(2-methyl-2-methylsulfonylpropyl)amino]pyrazine-2-carboxylic acid is CC(C)(CNc1nccnc1C(=O)O)S(C)(=O)=O.
What is the InChIKey of 3-[(2-methyl-2-methylsulfonylpropyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is NJZQCHJUPDRSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-10(2,18(3,16)17)6-13-8-7(9(14)15)11-4-5-12-8/h4-5H,6H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 3-[(2-methyl-2-methylsulfonylpropyl)amino]pyrazine-2-carboxylic acid?
3-[(2-methyl-2-methylsulfonylpropyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 273.31 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-2-methylsulfonylpropyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 79555289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).