3-[(2-methylphenyl)methylsulfanyl]quinoxalin-2-amine

C16H15N3S — CID 102988934

IUPAC3-[(2-methylphenyl)methylsulfanyl]quinoxalin-2-amine
SMILESCc1ccccc1CSc1nc2ccccc2nc1N
InChIInChI=1S/C16H15N3S/c1-11-6-2-3-7-12(11)10-20-16-15(17)18-13-8-4-5-9-14(13)19-16/h2-9H,10H2,1H3,(H2,17,18)
InChIKeyOIUUNKUYGKRLAA-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.81
Rot. Bonds3

About 3-[(2-methylphenyl)methylsulfanyl]quinoxalin-2-amine

3-[(2-methylphenyl)methylsulfanyl]quinoxalin-2-amine (PubChem CID 102988934) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 3-[(2-methylphenyl)methylsulfanyl]quinoxalin-2-amine.

Molecular Properties

Compound Name3-[(2-methylphenyl)methylsulfanyl]quinoxalin-2-amine
PubChem CID102988934
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name3-[(2-methylphenyl)methylsulfanyl]quinoxalin-2-amine
SMILESCc1ccccc1CSc1nc2ccccc2nc1N
InChIInChI=1S/C16H15N3S/c1-11-6-2-3-7-12(11)10-20-16-15(17)18-13-8-4-5-9-14(13)19-16/h2-9H,10H2,1H3,(H2,17,18)
InChIKeyOIUUNKUYGKRLAA-UHFFFAOYSA-N
XLogP3.81
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-6-[(2-methylphenyl)methylsulfanyl]pyridine-2-carboxylic acid
CID 114409611
[3-chloro-2-[(2-methylphenyl)methylsulfanyl]-4-pyridinyl]methanamine
CID 107061189
3-methyl-4-[(2-methylphenyl)methylsulfanyl]aniline
CID 43303257
3-chloro-2-[(2-methylphenyl)methylsulfanyl]pyridine
CID 47129961
5-amino-2-[(2-methylphenyl)methylsulfanyl]pyridine-3-carbonitrile
CID 62771404
2-methoxy-6-[(2-methylphenyl)methylsulfanyl]pyridin-3-amine
CID 55112968
N,N-diethyl-2-[(3-methylquinoxalin-2-yl)sulfanylmethyl]aniline
CID 14052179
4-[(2-methylphenyl)methylsulfanyl]phenol
CID 60865685
5-methyl-2-[(2-methylphenyl)methylsulfanyl]pyridin-4-amine
CID 83267578
2-methyl-4-[(2-methylphenyl)methylsulfanyl]aniline
CID 62771925
4-amino-6-cyclopropyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-5-carbonitrile
CID 100776233
6-benzyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-amine
CID 46861690

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenyl)methylsulfanyl]quinoxalin-2-amine?
The IUPAC name of 3-[(2-methylphenyl)methylsulfanyl]quinoxalin-2-amine (CID 102988934) is 3-[(2-methylphenyl)methylsulfanyl]quinoxalin-2-amine.
What is the SMILES notation for 3-[(2-methylphenyl)methylsulfanyl]quinoxalin-2-amine?
The canonical SMILES for 3-[(2-methylphenyl)methylsulfanyl]quinoxalin-2-amine is Cc1ccccc1CSc1nc2ccccc2nc1N.
What is the InChIKey of 3-[(2-methylphenyl)methylsulfanyl]quinoxalin-2-amine?
The InChIKey is OIUUNKUYGKRLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-11-6-2-3-7-12(11)10-20-16-15(17)18-13-8-4-5-9-14(13)19-16/h2-9H,10H2,1H3,(H2,17,18).
What are the key properties of 3-[(2-methylphenyl)methylsulfanyl]quinoxalin-2-amine?
3-[(2-methylphenyl)methylsulfanyl]quinoxalin-2-amine has a molecular weight of 281.38 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)methylsulfanyl]quinoxalin-2-amine is sourced from PubChem (CID 102988934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).