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

C11H13N3OS — CID 118726513

IUPAC2-[(3-methylsulfanylquinoxalin-2-yl)amino]ethanol
SMILESCSc1nc2ccccc2nc1NCCO
InChIInChI=1S/C11H13N3OS/c1-16-11-10(12-6-7-15)13-8-4-2-3-5-9(8)14-11/h2-5,15H,6-7H2,1H3,(H,12,13)
InChIKeyFDQAPZOAAOLGGJ-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.76
Rot. Bonds4

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

2-[(3-methylsulfanylquinoxalin-2-yl)amino]ethanol (PubChem CID 118726513) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-[(3-methylsulfanylquinoxalin-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-methylsulfanylquinoxalin-2-yl)amino]ethanol
PubChem CID118726513
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name2-[(3-methylsulfanylquinoxalin-2-yl)amino]ethanol
SMILESCSc1nc2ccccc2nc1NCCO
InChIInChI=1S/C11H13N3OS/c1-16-11-10(12-6-7-15)13-8-4-2-3-5-9(8)14-11/h2-5,15H,6-7H2,1H3,(H,12,13)
InChIKeyFDQAPZOAAOLGGJ-UHFFFAOYSA-N
XLogP1.76
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(2-Hydroxyethylamino)quinoxalin-2-yl]amino]ethanol
CID 2728525
N-butyl-3-methylsulfonylquinoxalin-2-amine
CID 118726528
2-[(7-Bromo-3-methylsulfonylquinoxalin-2-yl)amino]ethanol
CID 118726537
2-[(3-Methylsulfonylquinoxalin-2-yl)amino]ethanol
CID 118726529
2-(Quinoxalin-2-ylamino)ethanol
CID 3783287
N-butyl-3-methylsulfanylquinoxalin-2-amine
CID 118726512
2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanyl-N-propan-2-ylacetamide
CID 15988345
2-{[3-(Piperidin-1-yl)quinoxalin-2-yl]sulfanyl}acetic acid
CID 15988348
7-bromo-N-butyl-3-methylsulfanylquinoxalin-2-amine
CID 118726520
N-butyl-7-chloro-3-methylsulfanylquinoxalin-2-amine
CID 118726523
N-ethylquinoxaline-2,3-diamine
CID 10726278
2-[(3-Chloro-2-quinoxalinyl)amino]ethanol
CID 1580094

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylsulfanylquinoxalin-2-yl)amino]ethanol?
The IUPAC name of 2-[(3-methylsulfanylquinoxalin-2-yl)amino]ethanol (CID 118726513) is 2-[(3-methylsulfanylquinoxalin-2-yl)amino]ethanol.
What is the SMILES notation for 2-[(3-methylsulfanylquinoxalin-2-yl)amino]ethanol?
The canonical SMILES for 2-[(3-methylsulfanylquinoxalin-2-yl)amino]ethanol is CSc1nc2ccccc2nc1NCCO.
What is the InChIKey of 2-[(3-methylsulfanylquinoxalin-2-yl)amino]ethanol?
The InChIKey is FDQAPZOAAOLGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-16-11-10(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-methylsulfanylquinoxalin-2-yl)amino]ethanol?
2-[(3-methylsulfanylquinoxalin-2-yl)amino]ethanol has a molecular weight of 235.31 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylsulfanylquinoxalin-2-yl)amino]ethanol is sourced from PubChem (CID 118726513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).