3-methylsulfanylquinoxalin-2-amine

C9H9N3S — CID 605663

IUPAC3-methylsulfanylquinoxalin-2-amine
SMILESCSc1nc2ccccc2nc1N
InChIInChI=1S/C9H9N3S/c1-13-9-8(10)11-6-4-2-3-5-7(6)12-9/h2-5H,1H3,(H2,10,11)
InChIKeyUEHNHFULGJGALE-UHFFFAOYSA-N
MW191.26 g/mol
LogP1.93
Rot. Bonds1

About 3-methylsulfanylquinoxalin-2-amine

3-methylsulfanylquinoxalin-2-amine (PubChem CID 605663) has the molecular formula C9H9N3S and a molecular weight of 191.26 g/mol. Its IUPAC name is 3-methylsulfanylquinoxalin-2-amine.

Molecular Properties

Compound Name3-methylsulfanylquinoxalin-2-amine
PubChem CID605663
Molecular FormulaC9H9N3S
Molecular Weight191.26 g/mol
Exact Mass191.05
IUPAC Name3-methylsulfanylquinoxalin-2-amine
SMILESCSc1nc2ccccc2nc1N
InChIInChI=1S/C9H9N3S/c1-13-9-8(10)11-6-4-2-3-5-7(6)12-9/h2-5H,1H3,(H2,10,11)
InChIKeyUEHNHFULGJGALE-UHFFFAOYSA-N
XLogP1.93
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methylsulfanylquinoxalin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Quinoxaline-2,3-diamine
CID 241488
N-butyl-3-methylsulfonylquinoxalin-2-amine
CID 118726528
3-Chloroquinoxalin-2-amine
CID 817274
3-Amino-2-quinoxalinecarbonitrile
CID 4736915
2-Butyl-1-(3-methylquinoxalin-2-yl)guanidine
CID 12785700
2-(4-Methylpiperazin-1-yl)-3-phenylsulfanylquinoxaline
CID 24853529
3-Chloro-2-(methylthio)quinoxaline
CID 90442310
N-butyl-3-methylsulfanylquinoxalin-2-amine
CID 118726512
2-Methyl-3-phenylsulfanylquinoxaline
CID 899293
2-[(3-Methylsulfanylquinoxalin-2-yl)amino]ethanol
CID 118726513
7-bromo-N-butyl-3-methylsulfanylquinoxalin-2-amine
CID 118726520
N-butyl-7-chloro-3-methylsulfanylquinoxalin-2-amine
CID 118726523

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanylquinoxalin-2-amine?
The IUPAC name of 3-methylsulfanylquinoxalin-2-amine (CID 605663) is 3-methylsulfanylquinoxalin-2-amine.
What is the SMILES notation for 3-methylsulfanylquinoxalin-2-amine?
The canonical SMILES for 3-methylsulfanylquinoxalin-2-amine is CSc1nc2ccccc2nc1N.
What is the InChIKey of 3-methylsulfanylquinoxalin-2-amine?
The InChIKey is UEHNHFULGJGALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S/c1-13-9-8(10)11-6-4-2-3-5-7(6)12-9/h2-5H,1H3,(H2,10,11).
What are the key properties of 3-methylsulfanylquinoxalin-2-amine?
3-methylsulfanylquinoxalin-2-amine has a molecular weight of 191.26 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanylquinoxalin-2-amine is sourced from PubChem (CID 605663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).