2-[(3-methylsulfonylquinoxalin-2-yl)amino]ethanol

C11H13N3O3S — CID 118726529

IUPAC2-[(3-methylsulfonylquinoxalin-2-yl)amino]ethanol
SMILESCS(=O)(=O)c1nc2ccccc2nc1NCCO
InChIInChI=1S/C11H13N3O3S/c1-18(16,17)11-10(12-6-7-15)13-8-4-2-3-5-9(8)14-11/h2-5,15H,6-7H2,1H3,(H,12,13)
InChIKeyGDXWVNORFLSONI-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.44
Rot. Bonds4

About 2-[(3-methylsulfonylquinoxalin-2-yl)amino]ethanol

2-[(3-methylsulfonylquinoxalin-2-yl)amino]ethanol (PubChem CID 118726529) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-[(3-methylsulfonylquinoxalin-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-methylsulfonylquinoxalin-2-yl)amino]ethanol
PubChem CID118726529
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name2-[(3-methylsulfonylquinoxalin-2-yl)amino]ethanol
SMILESCS(=O)(=O)c1nc2ccccc2nc1NCCO
InChIInChI=1S/C11H13N3O3S/c1-18(16,17)11-10(12-6-7-15)13-8-4-2-3-5-9(8)14-11/h2-5,15H,6-7H2,1H3,(H,12,13)
InChIKeyGDXWVNORFLSONI-UHFFFAOYSA-N
XLogP0.44
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3-(2-Hydroxyethylamino)quinoxalin-2-yl]amino]ethanol
CID 2728525
N-butyl-7-chloro-3-methylsulfonylquinoxalin-2-amine
CID 118726539
7-chloro-N-cyclohexyl-3-methylsulfonylquinoxalin-2-amine
CID 118726540
3-(benzenesulfonyl)-N-phenylquinoxalin-2-amine
CID 56670219
1-[3-(Benzenesulfonyl)quinoxalin-2-yl]piperidin-4-ol
CID 70685462
4-[3-(Benzenesulfonyl)quinoxalin-2-yl]morpholine
CID 70691801
1-[3-(Benzenesulfonyl)quinoxalin-2-yl]piperidin-3-ol
CID 70693865
7-bromo-N-butyl-3-methylsulfonylquinoxalin-2-amine
CID 118726536
N-butyl-3-methylsulfonylquinoxalin-2-amine
CID 118726528
2-[(7-Bromo-3-methylsulfonylquinoxalin-2-yl)amino]ethanol
CID 118726537
N-butyl-3-methylsulfanylquinoxalin-2-amine
CID 118726512
Methyl 2-(3-piperidin-1-ylquinoxalin-2-yl)sulfonylacetate
CID 15988350

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylsulfonylquinoxalin-2-yl)amino]ethanol?
The IUPAC name of 2-[(3-methylsulfonylquinoxalin-2-yl)amino]ethanol (CID 118726529) is 2-[(3-methylsulfonylquinoxalin-2-yl)amino]ethanol.
What is the SMILES notation for 2-[(3-methylsulfonylquinoxalin-2-yl)amino]ethanol?
The canonical SMILES for 2-[(3-methylsulfonylquinoxalin-2-yl)amino]ethanol is CS(=O)(=O)c1nc2ccccc2nc1NCCO.
What is the InChIKey of 2-[(3-methylsulfonylquinoxalin-2-yl)amino]ethanol?
The InChIKey is GDXWVNORFLSONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-18(16,17)11-10(12-6-7-15)13-8-4-2-3-5-9(8)14-11/h2-5,15H,6-7H2,1H3,(H,12,13).
What are the key properties of 2-[(3-methylsulfonylquinoxalin-2-yl)amino]ethanol?
2-[(3-methylsulfonylquinoxalin-2-yl)amino]ethanol has a molecular weight of 267.31 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylsulfonylquinoxalin-2-yl)amino]ethanol is sourced from PubChem (CID 118726529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).