2-methyl-3-[(3S)-oxolan-3-yl]sulfanylquinoxaline

C13H14N2OS — CID 124620253

IUPAC2-methyl-3-[(3S)-oxolan-3-yl]sulfanylquinoxaline
SMILESCc1nc2ccccc2nc1S[C@H]1CCOC1
InChIInChI=1S/C13H14N2OS/c1-9-13(17-10-6-7-16-8-10)15-12-5-3-2-4-11(12)14-9/h2-5,10H,6-8H2,1H3/t10-/m0/s1
InChIKeyLGZNLTSVLPYTBK-JTQLQIEISA-N
MW246.33 g/mol
LogP2.82
Rot. Bonds2

About 2-methyl-3-[(3S)-oxolan-3-yl]sulfanylquinoxaline

2-methyl-3-[(3S)-oxolan-3-yl]sulfanylquinoxaline (PubChem CID 124620253) has the molecular formula C13H14N2OS and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-methyl-3-[(3S)-oxolan-3-yl]sulfanylquinoxaline.

Molecular Properties

Compound Name2-methyl-3-[(3S)-oxolan-3-yl]sulfanylquinoxaline
PubChem CID124620253
Molecular FormulaC13H14N2OS
Molecular Weight246.33 g/mol
Exact Mass246.08
IUPAC Name2-methyl-3-[(3S)-oxolan-3-yl]sulfanylquinoxaline
SMILESCc1nc2ccccc2nc1S[C@H]1CCOC1
InChIInChI=1S/C13H14N2OS/c1-9-13(17-10-6-7-16-8-10)15-12-5-3-2-4-11(12)14-9/h2-5,10H,6-8H2,1H3/t10-/m0/s1
InChIKeyLGZNLTSVLPYTBK-JTQLQIEISA-N
XLogP2.82
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(3S)-oxolan-3-yl]sulfanylquinoxaline?
The IUPAC name of 2-methyl-3-[(3S)-oxolan-3-yl]sulfanylquinoxaline (CID 124620253) is 2-methyl-3-[(3S)-oxolan-3-yl]sulfanylquinoxaline.
What is the SMILES notation for 2-methyl-3-[(3S)-oxolan-3-yl]sulfanylquinoxaline?
The canonical SMILES for 2-methyl-3-[(3S)-oxolan-3-yl]sulfanylquinoxaline is Cc1nc2ccccc2nc1S[C@H]1CCOC1.
What is the InChIKey of 2-methyl-3-[(3S)-oxolan-3-yl]sulfanylquinoxaline?
The InChIKey is LGZNLTSVLPYTBK-JTQLQIEISA-N. The full InChI is InChI=1S/C13H14N2OS/c1-9-13(17-10-6-7-16-8-10)15-12-5-3-2-4-11(12)14-9/h2-5,10H,6-8H2,1H3/t10-/m0/s1.
What are the key properties of 2-methyl-3-[(3S)-oxolan-3-yl]sulfanylquinoxaline?
2-methyl-3-[(3S)-oxolan-3-yl]sulfanylquinoxaline has a molecular weight of 246.33 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(3S)-oxolan-3-yl]sulfanylquinoxaline is sourced from PubChem (CID 124620253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).