6-[1-(thietan-2-yl)ethyl]quinoxaline

C13H14N2S — CID 137438674

IUPAC6-[1-(thietan-2-yl)ethyl]quinoxaline
SMILESCC(c1ccc2nccnc2c1)C1CCS1
InChIInChI=1S/C13H14N2S/c1-9(13-4-7-16-13)10-2-3-11-12(8-10)15-6-5-14-11/h2-3,5-6,8-9,13H,4,7H2,1H3
InChIKeyGYCNWGLBKJOULE-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.24
Rot. Bonds2

About 6-[1-(thietan-2-yl)ethyl]quinoxaline

6-[1-(thietan-2-yl)ethyl]quinoxaline (PubChem CID 137438674) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 6-[1-(thietan-2-yl)ethyl]quinoxaline.

Molecular Properties

Compound Name6-[1-(thietan-2-yl)ethyl]quinoxaline
PubChem CID137438674
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name6-[1-(thietan-2-yl)ethyl]quinoxaline
SMILESCC(c1ccc2nccnc2c1)C1CCS1
InChIInChI=1S/C13H14N2S/c1-9(13-4-7-16-13)10-2-3-11-12(8-10)15-6-5-14-11/h2-3,5-6,8-9,13H,4,7H2,1H3
InChIKeyGYCNWGLBKJOULE-UHFFFAOYSA-N
XLogP3.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(thietan-2-yl)ethyl]quinoxaline?
The IUPAC name of 6-[1-(thietan-2-yl)ethyl]quinoxaline (CID 137438674) is 6-[1-(thietan-2-yl)ethyl]quinoxaline.
What is the SMILES notation for 6-[1-(thietan-2-yl)ethyl]quinoxaline?
The canonical SMILES for 6-[1-(thietan-2-yl)ethyl]quinoxaline is CC(c1ccc2nccnc2c1)C1CCS1.
What is the InChIKey of 6-[1-(thietan-2-yl)ethyl]quinoxaline?
The InChIKey is GYCNWGLBKJOULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-9(13-4-7-16-13)10-2-3-11-12(8-10)15-6-5-14-11/h2-3,5-6,8-9,13H,4,7H2,1H3.
What are the key properties of 6-[1-(thietan-2-yl)ethyl]quinoxaline?
6-[1-(thietan-2-yl)ethyl]quinoxaline has a molecular weight of 230.34 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(thietan-2-yl)ethyl]quinoxaline is sourced from PubChem (CID 137438674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).