3-(3-methoxyphenyl)sulfanylquinoxalin-2-amine

C15H13N3OS — CID 102988705

IUPAC3-(3-methoxyphenyl)sulfanylquinoxalin-2-amine
SMILESCOc1cccc(Sc2nc3ccccc3nc2N)c1
InChIInChI=1S/C15H13N3OS/c1-19-10-5-4-6-11(9-10)20-15-14(16)17-12-7-2-3-8-13(12)18-15/h2-9H,1H3,(H2,16,17)
InChIKeyOZIPHXMXAKKSIR-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.37
Rot. Bonds3

About 3-(3-methoxyphenyl)sulfanylquinoxalin-2-amine

3-(3-methoxyphenyl)sulfanylquinoxalin-2-amine (PubChem CID 102988705) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)sulfanylquinoxalin-2-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)sulfanylquinoxalin-2-amine
PubChem CID102988705
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name3-(3-methoxyphenyl)sulfanylquinoxalin-2-amine
SMILESCOc1cccc(Sc2nc3ccccc3nc2N)c1
InChIInChI=1S/C15H13N3OS/c1-19-10-5-4-6-11(9-10)20-15-14(16)17-12-7-2-3-8-13(12)18-15/h2-9H,1H3,(H2,16,17)
InChIKeyOZIPHXMXAKKSIR-UHFFFAOYSA-N
XLogP3.37
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methoxyphenyl)sulfanyl-2-methylsulfanylquinazoline
CID 1479845
4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidin-2-amine
CID 80884012
6-(3-methoxyphenyl)sulfanylquinazoline-2,4-diamine
CID 626823
2-(3-methoxyphenyl)sulfanyl-5-methylpyridin-3-amine
CID 66280907
3-[(3-methoxyphenyl)methoxy]quinoxalin-2-amine
CID 102987596
6-(3-methoxyphenyl)sulfanylpyrazin-2-amine
CID 80646798
2-chloro-3-(4-methoxyphenyl)sulfanylquinoxaline
CID 2777722
2-chloro-4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidine
CID 79073515
2-[4-(3-methoxyphenyl)sulfanylphenyl]-1H-benzimidazole
CID 68837833
2-ethoxy-6-(3-methoxyphenyl)sulfanylpyridin-3-amine
CID 43262702
N'-hydroxy-2-(3-methoxyphenyl)sulfanylpyridine-3-carboximidamide
CID 43187698
4-chloro-2-(3-methoxyphenyl)sulfanylaniline
CID 115469501

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)sulfanylquinoxalin-2-amine?
The IUPAC name of 3-(3-methoxyphenyl)sulfanylquinoxalin-2-amine (CID 102988705) is 3-(3-methoxyphenyl)sulfanylquinoxalin-2-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)sulfanylquinoxalin-2-amine?
The canonical SMILES for 3-(3-methoxyphenyl)sulfanylquinoxalin-2-amine is COc1cccc(Sc2nc3ccccc3nc2N)c1.
What is the InChIKey of 3-(3-methoxyphenyl)sulfanylquinoxalin-2-amine?
The InChIKey is OZIPHXMXAKKSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-19-10-5-4-6-11(9-10)20-15-14(16)17-12-7-2-3-8-13(12)18-15/h2-9H,1H3,(H2,16,17).
What are the key properties of 3-(3-methoxyphenyl)sulfanylquinoxalin-2-amine?
3-(3-methoxyphenyl)sulfanylquinoxalin-2-amine has a molecular weight of 283.36 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)sulfanylquinoxalin-2-amine is sourced from PubChem (CID 102988705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).