2-(methoxymethyl)-5-methylsulfonyl-1,2,3,4-tetrahydroquinoxaline

C11H16N2O3S — CID 82008597

IUPAC2-(methoxymethyl)-5-methylsulfonyl-1,2,3,4-tetrahydroquinoxaline
SMILESCOCC1CNc2c(cccc2S(C)(=O)=O)N1
InChIInChI=1S/C11H16N2O3S/c1-16-7-8-6-12-11-9(13-8)4-3-5-10(11)17(2,14)15/h3-5,8,12-13H,6-7H2,1-2H3
InChIKeyRQXHQCDYDCWDAX-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.94
Rot. Bonds3

About 2-(methoxymethyl)-5-methylsulfonyl-1,2,3,4-tetrahydroquinoxaline

2-(methoxymethyl)-5-methylsulfonyl-1,2,3,4-tetrahydroquinoxaline (PubChem CID 82008597) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-methylsulfonyl-1,2,3,4-tetrahydroquinoxaline.

Molecular Properties

Compound Name2-(methoxymethyl)-5-methylsulfonyl-1,2,3,4-tetrahydroquinoxaline
PubChem CID82008597
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-(methoxymethyl)-5-methylsulfonyl-1,2,3,4-tetrahydroquinoxaline
SMILESCOCC1CNc2c(cccc2S(C)(=O)=O)N1
InChIInChI=1S/C11H16N2O3S/c1-16-7-8-6-12-11-9(13-8)4-3-5-10(11)17(2,14)15/h3-5,8,12-13H,6-7H2,1-2H3
InChIKeyRQXHQCDYDCWDAX-UHFFFAOYSA-N
XLogP0.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-methylsulfonyl-1,2,3,4-tetrahydroquinoxaline?
The IUPAC name of 2-(methoxymethyl)-5-methylsulfonyl-1,2,3,4-tetrahydroquinoxaline (CID 82008597) is 2-(methoxymethyl)-5-methylsulfonyl-1,2,3,4-tetrahydroquinoxaline.
What is the SMILES notation for 2-(methoxymethyl)-5-methylsulfonyl-1,2,3,4-tetrahydroquinoxaline?
The canonical SMILES for 2-(methoxymethyl)-5-methylsulfonyl-1,2,3,4-tetrahydroquinoxaline is COCC1CNc2c(cccc2S(C)(=O)=O)N1.
What is the InChIKey of 2-(methoxymethyl)-5-methylsulfonyl-1,2,3,4-tetrahydroquinoxaline?
The InChIKey is RQXHQCDYDCWDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-16-7-8-6-12-11-9(13-8)4-3-5-10(11)17(2,14)15/h3-5,8,12-13H,6-7H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-5-methylsulfonyl-1,2,3,4-tetrahydroquinoxaline?
2-(methoxymethyl)-5-methylsulfonyl-1,2,3,4-tetrahydroquinoxaline has a molecular weight of 256.33 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-methylsulfonyl-1,2,3,4-tetrahydroquinoxaline is sourced from PubChem (CID 82008597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).