4-methylsulfonyl-1-quinoxalin-5-ylbutan-1-ol

C13H16N2O3S — CID 105082611

IUPAC4-methylsulfonyl-1-quinoxalin-5-ylbutan-1-ol
SMILESCS(=O)(=O)CCCC(O)c1cccc2nccnc12
InChIInChI=1S/C13H16N2O3S/c1-19(17,18)9-3-6-12(16)10-4-2-5-11-13(10)15-8-7-14-11/h2,4-5,7-8,12,16H,3,6,9H2,1H3
InChIKeyVEQHKWSWWKPSAH-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.49
Rot. Bonds5

About 4-methylsulfonyl-1-quinoxalin-5-ylbutan-1-ol

4-methylsulfonyl-1-quinoxalin-5-ylbutan-1-ol (PubChem CID 105082611) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-methylsulfonyl-1-quinoxalin-5-ylbutan-1-ol.

Molecular Properties

Compound Name4-methylsulfonyl-1-quinoxalin-5-ylbutan-1-ol
PubChem CID105082611
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name4-methylsulfonyl-1-quinoxalin-5-ylbutan-1-ol
SMILESCS(=O)(=O)CCCC(O)c1cccc2nccnc12
InChIInChI=1S/C13H16N2O3S/c1-19(17,18)9-3-6-12(16)10-4-2-5-11-13(10)15-8-7-14-11/h2,4-5,7-8,12,16H,3,6,9H2,1H3
InChIKeyVEQHKWSWWKPSAH-UHFFFAOYSA-N
XLogP1.49
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-methylsulfonyl-1-quinoxalin-5-ylpropan-1-amine
CID 114984120
1-(2-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol
CID 105082597
1-quinoxalin-5-ylbut-3-en-1-ol
CID 105081692
3-ethyl-1-quinoxalin-5-ylheptan-1-ol
CID 105080613
2-(4-fluoro-2-methylphenyl)-1-quinoxalin-5-ylethanol
CID 105131294
2-(2-chloro-4-methylphenyl)-1-quinoxalin-5-ylethanol
CID 106868052
1-(3-chloro-4-pyridinyl)-4-methylsulfonylbutan-1-ol
CID 105082589
4-methylsulfonyl-1-quinolin-2-ylbutan-1-ol
CID 55162729
4-methylsulfonyl-1-pyridin-3-ylbutan-1-ol
CID 63192618
2-(2,4-dichlorophenyl)-1-quinoxalin-5-ylethanol
CID 105086789
2-(2-chloro-3-fluorophenyl)-1-quinoxalin-5-ylethanol
CID 105124141
1-quinoxalin-5-ylprop-2-yn-1-ol
CID 105106188

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-1-quinoxalin-5-ylbutan-1-ol?
The IUPAC name of 4-methylsulfonyl-1-quinoxalin-5-ylbutan-1-ol (CID 105082611) is 4-methylsulfonyl-1-quinoxalin-5-ylbutan-1-ol.
What is the SMILES notation for 4-methylsulfonyl-1-quinoxalin-5-ylbutan-1-ol?
The canonical SMILES for 4-methylsulfonyl-1-quinoxalin-5-ylbutan-1-ol is CS(=O)(=O)CCCC(O)c1cccc2nccnc12.
What is the InChIKey of 4-methylsulfonyl-1-quinoxalin-5-ylbutan-1-ol?
The InChIKey is VEQHKWSWWKPSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-19(17,18)9-3-6-12(16)10-4-2-5-11-13(10)15-8-7-14-11/h2,4-5,7-8,12,16H,3,6,9H2,1H3.
What are the key properties of 4-methylsulfonyl-1-quinoxalin-5-ylbutan-1-ol?
4-methylsulfonyl-1-quinoxalin-5-ylbutan-1-ol has a molecular weight of 280.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-1-quinoxalin-5-ylbutan-1-ol is sourced from PubChem (CID 105082611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).