2-(2,2-dimethylpropylsulfanyl)quinoxaline

C13H16N2S — CID 58689223

IUPAC2-(2,2-dimethylpropylsulfanyl)quinoxaline
SMILESCC(C)(C)CSc1cnc2ccccc2n1
InChIInChI=1S/C13H16N2S/c1-13(2,3)9-16-12-8-14-10-6-4-5-7-11(10)15-12/h4-8H,9H2,1-3H3
InChIKeyYYROSXYCJNJADC-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.77
Rot. Bonds2

About 2-(2,2-dimethylpropylsulfanyl)quinoxaline

2-(2,2-dimethylpropylsulfanyl)quinoxaline (PubChem CID 58689223) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-(2,2-dimethylpropylsulfanyl)quinoxaline.

Molecular Properties

Compound Name2-(2,2-dimethylpropylsulfanyl)quinoxaline
PubChem CID58689223
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name2-(2,2-dimethylpropylsulfanyl)quinoxaline
SMILESCC(C)(C)CSc1cnc2ccccc2n1
InChIInChI=1S/C13H16N2S/c1-13(2,3)9-16-12-8-14-10-6-4-5-7-11(10)15-12/h4-8H,9H2,1-3H3
InChIKeyYYROSXYCJNJADC-UHFFFAOYSA-N
XLogP3.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropylsulfanyl)quinoxaline?
The IUPAC name of 2-(2,2-dimethylpropylsulfanyl)quinoxaline (CID 58689223) is 2-(2,2-dimethylpropylsulfanyl)quinoxaline.
What is the SMILES notation for 2-(2,2-dimethylpropylsulfanyl)quinoxaline?
The canonical SMILES for 2-(2,2-dimethylpropylsulfanyl)quinoxaline is CC(C)(C)CSc1cnc2ccccc2n1.
What is the InChIKey of 2-(2,2-dimethylpropylsulfanyl)quinoxaline?
The InChIKey is YYROSXYCJNJADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-13(2,3)9-16-12-8-14-10-6-4-5-7-11(10)15-12/h4-8H,9H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropylsulfanyl)quinoxaline?
2-(2,2-dimethylpropylsulfanyl)quinoxaline has a molecular weight of 232.35 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropylsulfanyl)quinoxaline is sourced from PubChem (CID 58689223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).