3,3-dimethyl-8-methylsulfonyl-1,4-dihydroquinoxalin-2-one

C11H14N2O3S — CID 82008246

IUPAC3,3-dimethyl-8-methylsulfonyl-1,4-dihydroquinoxalin-2-one
SMILESCC1(C)Nc2cccc(S(C)(=O)=O)c2NC1=O
InChIInChI=1S/C11H14N2O3S/c1-11(2)10(14)12-9-7(13-11)5-4-6-8(9)17(3,15)16/h4-6,13H,1-3H3,(H,12,14)
InChIKeyLHKZAENNOOOSPC-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.23
Rot. Bonds1

About 3,3-dimethyl-8-methylsulfonyl-1,4-dihydroquinoxalin-2-one

3,3-dimethyl-8-methylsulfonyl-1,4-dihydroquinoxalin-2-one (PubChem CID 82008246) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 3,3-dimethyl-8-methylsulfonyl-1,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-8-methylsulfonyl-1,4-dihydroquinoxalin-2-one
PubChem CID82008246
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name3,3-dimethyl-8-methylsulfonyl-1,4-dihydroquinoxalin-2-one
SMILESCC1(C)Nc2cccc(S(C)(=O)=O)c2NC1=O
InChIInChI=1S/C11H14N2O3S/c1-11(2)10(14)12-9-7(13-11)5-4-6-8(9)17(3,15)16/h4-6,13H,1-3H3,(H,12,14)
InChIKeyLHKZAENNOOOSPC-UHFFFAOYSA-N
XLogP1.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-8-methylsulfonyl-1,4-dihydroquinoxalin-2-one?
The IUPAC name of 3,3-dimethyl-8-methylsulfonyl-1,4-dihydroquinoxalin-2-one (CID 82008246) is 3,3-dimethyl-8-methylsulfonyl-1,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 3,3-dimethyl-8-methylsulfonyl-1,4-dihydroquinoxalin-2-one?
The canonical SMILES for 3,3-dimethyl-8-methylsulfonyl-1,4-dihydroquinoxalin-2-one is CC1(C)Nc2cccc(S(C)(=O)=O)c2NC1=O.
What is the InChIKey of 3,3-dimethyl-8-methylsulfonyl-1,4-dihydroquinoxalin-2-one?
The InChIKey is LHKZAENNOOOSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-11(2)10(14)12-9-7(13-11)5-4-6-8(9)17(3,15)16/h4-6,13H,1-3H3,(H,12,14).
What are the key properties of 3,3-dimethyl-8-methylsulfonyl-1,4-dihydroquinoxalin-2-one?
3,3-dimethyl-8-methylsulfonyl-1,4-dihydroquinoxalin-2-one has a molecular weight of 254.31 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-8-methylsulfonyl-1,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 82008246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).