2-methyl-3-(2-methylpropylsulfanylmethyl)quinoxaline

C14H18N2S — CID 112779380

IUPAC2-methyl-3-(2-methylpropylsulfanylmethyl)quinoxaline
SMILESCc1nc2ccccc2nc1CSCC(C)C
InChIInChI=1S/C14H18N2S/c1-10(2)8-17-9-14-11(3)15-12-6-4-5-7-13(12)16-14/h4-7,10H,8-9H2,1-3H3
InChIKeyGDSQGJBYRZIVOB-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.83
Rot. Bonds4

About 2-methyl-3-(2-methylpropylsulfanylmethyl)quinoxaline

2-methyl-3-(2-methylpropylsulfanylmethyl)quinoxaline (PubChem CID 112779380) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-methyl-3-(2-methylpropylsulfanylmethyl)quinoxaline.

Molecular Properties

Compound Name2-methyl-3-(2-methylpropylsulfanylmethyl)quinoxaline
PubChem CID112779380
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name2-methyl-3-(2-methylpropylsulfanylmethyl)quinoxaline
SMILESCc1nc2ccccc2nc1CSCC(C)C
InChIInChI=1S/C14H18N2S/c1-10(2)8-17-9-14-11(3)15-12-6-4-5-7-13(12)16-14/h4-7,10H,8-9H2,1-3H3
InChIKeyGDSQGJBYRZIVOB-UHFFFAOYSA-N
XLogP3.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylpropylsulfanylmethyl)quinoxaline?
The IUPAC name of 2-methyl-3-(2-methylpropylsulfanylmethyl)quinoxaline (CID 112779380) is 2-methyl-3-(2-methylpropylsulfanylmethyl)quinoxaline.
What is the SMILES notation for 2-methyl-3-(2-methylpropylsulfanylmethyl)quinoxaline?
The canonical SMILES for 2-methyl-3-(2-methylpropylsulfanylmethyl)quinoxaline is Cc1nc2ccccc2nc1CSCC(C)C.
What is the InChIKey of 2-methyl-3-(2-methylpropylsulfanylmethyl)quinoxaline?
The InChIKey is GDSQGJBYRZIVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-10(2)8-17-9-14-11(3)15-12-6-4-5-7-13(12)16-14/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 2-methyl-3-(2-methylpropylsulfanylmethyl)quinoxaline?
2-methyl-3-(2-methylpropylsulfanylmethyl)quinoxaline has a molecular weight of 246.38 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylpropylsulfanylmethyl)quinoxaline is sourced from PubChem (CID 112779380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).