5-(1-methylsulfanylethyl)-1H-quinoxalin-2-one

C11H12N2OS — CID 170283133

IUPAC5-(1-methylsulfanylethyl)-1H-quinoxalin-2-one
SMILESCSC(C)c1cccc2[nH]c(=O)cnc12
InChIInChI=1S/C11H12N2OS/c1-7(15-2)8-4-3-5-9-11(8)12-6-10(14)13-9/h3-7H,1-2H3,(H,13,14)
InChIKeySZMMUGZGIFCJED-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.35
Rot. Bonds2

About 5-(1-methylsulfanylethyl)-1H-quinoxalin-2-one

5-(1-methylsulfanylethyl)-1H-quinoxalin-2-one (PubChem CID 170283133) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 5-(1-methylsulfanylethyl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name5-(1-methylsulfanylethyl)-1H-quinoxalin-2-one
PubChem CID170283133
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name5-(1-methylsulfanylethyl)-1H-quinoxalin-2-one
SMILESCSC(C)c1cccc2[nH]c(=O)cnc12
InChIInChI=1S/C11H12N2OS/c1-7(15-2)8-4-3-5-9-11(8)12-6-10(14)13-9/h3-7H,1-2H3,(H,13,14)
InChIKeySZMMUGZGIFCJED-UHFFFAOYSA-N
XLogP2.35
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylsulfanylethyl)-1H-quinoxalin-2-one?
The IUPAC name of 5-(1-methylsulfanylethyl)-1H-quinoxalin-2-one (CID 170283133) is 5-(1-methylsulfanylethyl)-1H-quinoxalin-2-one.
What is the SMILES notation for 5-(1-methylsulfanylethyl)-1H-quinoxalin-2-one?
The canonical SMILES for 5-(1-methylsulfanylethyl)-1H-quinoxalin-2-one is CSC(C)c1cccc2[nH]c(=O)cnc12.
What is the InChIKey of 5-(1-methylsulfanylethyl)-1H-quinoxalin-2-one?
The InChIKey is SZMMUGZGIFCJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-7(15-2)8-4-3-5-9-11(8)12-6-10(14)13-9/h3-7H,1-2H3,(H,13,14).
What are the key properties of 5-(1-methylsulfanylethyl)-1H-quinoxalin-2-one?
5-(1-methylsulfanylethyl)-1H-quinoxalin-2-one has a molecular weight of 220.30 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylsulfanylethyl)-1H-quinoxalin-2-one is sourced from PubChem (CID 170283133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).