1-(methylsulfanylmethyl)quinoxalin-2-one

C10H10N2OS — CID 56689697

IUPAC1-(methylsulfanylmethyl)quinoxalin-2-one
SMILESCSCn1c(=O)cnc2ccccc21
InChIInChI=1S/C10H10N2OS/c1-14-7-12-9-5-3-2-4-8(9)11-6-10(12)13/h2-6H,7H2,1H3
InChIKeyABEDDOOTZHCALA-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.72
Rot. Bonds2

About 1-(methylsulfanylmethyl)quinoxalin-2-one

1-(methylsulfanylmethyl)quinoxalin-2-one (PubChem CID 56689697) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 1-(methylsulfanylmethyl)quinoxalin-2-one.

Molecular Properties

Compound Name1-(methylsulfanylmethyl)quinoxalin-2-one
PubChem CID56689697
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name1-(methylsulfanylmethyl)quinoxalin-2-one
SMILESCSCn1c(=O)cnc2ccccc21
InChIInChI=1S/C10H10N2OS/c1-14-7-12-9-5-3-2-4-8(9)11-6-10(12)13/h2-6H,7H2,1H3
InChIKeyABEDDOOTZHCALA-UHFFFAOYSA-N
XLogP1.72
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(fluoromethyl)quinoxalin-2-one
CID 140968709
1-[2-(ethylamino)ethyl]quinoxalin-2-one
CID 61387622
2-(2-oxoquinoxalin-1-yl)ethyl acetate
CID 175088435
1-[4-(ethylamino)butyl]quinoxalin-2-one
CID 62562828
methyl 2,2-dimethyl-3-(2-oxoquinoxalin-1-yl)propanoate
CID 79629951
1-[(4-methoxyphenyl)methyl]quinoxalin-2-one
CID 15497841
2-(2-oxoquinoxalin-1-yl)-N-[4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]phenyl]acetamide
CID 166181883
1-[2-(propan-2-ylamino)ethyl]quinoxalin-2-one
CID 61387624
2,2-dimethyl-4-(2-oxoquinoxalin-1-yl)butanethioamide
CID 65248642
2-(2-oxoquinoxalin-1-yl)-N-phenylacetamide
CID 4805436
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 26883298
1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 8851893

Frequently Asked Questions

What is the IUPAC name of 1-(methylsulfanylmethyl)quinoxalin-2-one?
The IUPAC name of 1-(methylsulfanylmethyl)quinoxalin-2-one (CID 56689697) is 1-(methylsulfanylmethyl)quinoxalin-2-one.
What is the SMILES notation for 1-(methylsulfanylmethyl)quinoxalin-2-one?
The canonical SMILES for 1-(methylsulfanylmethyl)quinoxalin-2-one is CSCn1c(=O)cnc2ccccc21.
What is the InChIKey of 1-(methylsulfanylmethyl)quinoxalin-2-one?
The InChIKey is ABEDDOOTZHCALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-14-7-12-9-5-3-2-4-8(9)11-6-10(12)13/h2-6H,7H2,1H3.
What are the key properties of 1-(methylsulfanylmethyl)quinoxalin-2-one?
1-(methylsulfanylmethyl)quinoxalin-2-one has a molecular weight of 206.27 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfanylmethyl)quinoxalin-2-one is sourced from PubChem (CID 56689697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).