3-(3-methylbutylsulfonylamino)pyrazine-2-carboxylic acid

C10H15N3O4S — CID 63857683

IUPAC3-(3-methylbutylsulfonylamino)pyrazine-2-carboxylic acid
SMILESCC(C)CCS(=O)(=O)Nc1nccnc1C(=O)O
InChIInChI=1S/C10H15N3O4S/c1-7(2)3-6-18(16,17)13-9-8(10(14)15)11-4-5-12-9/h4-5,7H,3,6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyYKCBMCCGSNGYQJ-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.96
Rot. Bonds6

About 3-(3-methylbutylsulfonylamino)pyrazine-2-carboxylic acid

3-(3-methylbutylsulfonylamino)pyrazine-2-carboxylic acid (PubChem CID 63857683) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-(3-methylbutylsulfonylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-methylbutylsulfonylamino)pyrazine-2-carboxylic acid
PubChem CID63857683
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name3-(3-methylbutylsulfonylamino)pyrazine-2-carboxylic acid
SMILESCC(C)CCS(=O)(=O)Nc1nccnc1C(=O)O
InChIInChI=1S/C10H15N3O4S/c1-7(2)3-6-18(16,17)13-9-8(10(14)15)11-4-5-12-9/h4-5,7H,3,6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyYKCBMCCGSNGYQJ-UHFFFAOYSA-N
XLogP0.96
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutylsulfonylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(3-methylbutylsulfonylamino)pyrazine-2-carboxylic acid (CID 63857683) is 3-(3-methylbutylsulfonylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(3-methylbutylsulfonylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(3-methylbutylsulfonylamino)pyrazine-2-carboxylic acid is CC(C)CCS(=O)(=O)Nc1nccnc1C(=O)O.
What is the InChIKey of 3-(3-methylbutylsulfonylamino)pyrazine-2-carboxylic acid?
The InChIKey is YKCBMCCGSNGYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-7(2)3-6-18(16,17)13-9-8(10(14)15)11-4-5-12-9/h4-5,7H,3,6H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 3-(3-methylbutylsulfonylamino)pyrazine-2-carboxylic acid?
3-(3-methylbutylsulfonylamino)pyrazine-2-carboxylic acid has a molecular weight of 273.31 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutylsulfonylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 63857683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).