6-bromo-4-(2-methylsulfonylethylsulfanyl)quinolin-3-amine

C12H13BrN2O2S2 — CID 63659896

IUPAC6-bromo-4-(2-methylsulfonylethylsulfanyl)quinolin-3-amine
SMILESCS(=O)(=O)CCSc1c(N)cnc2ccc(Br)cc12
InChIInChI=1S/C12H13BrN2O2S2/c1-19(16,17)5-4-18-12-9-6-8(13)2-3-11(9)15-7-10(12)14/h2-3,6-7H,4-5,14H2,1H3
InChIKeyOVWNMLURWUKCMT-UHFFFAOYSA-N
MW361.29 g/mol
LogP2.72
Rot. Bonds4

About 6-bromo-4-(2-methylsulfonylethylsulfanyl)quinolin-3-amine

6-bromo-4-(2-methylsulfonylethylsulfanyl)quinolin-3-amine (PubChem CID 63659896) has the molecular formula C12H13BrN2O2S2 and a molecular weight of 361.29 g/mol. Its IUPAC name is 6-bromo-4-(2-methylsulfonylethylsulfanyl)quinolin-3-amine.

Molecular Properties

Compound Name6-bromo-4-(2-methylsulfonylethylsulfanyl)quinolin-3-amine
PubChem CID63659896
Molecular FormulaC12H13BrN2O2S2
Molecular Weight361.29 g/mol
Exact Mass359.96
IUPAC Name6-bromo-4-(2-methylsulfonylethylsulfanyl)quinolin-3-amine
SMILESCS(=O)(=O)CCSc1c(N)cnc2ccc(Br)cc12
InChIInChI=1S/C12H13BrN2O2S2/c1-19(16,17)5-4-18-12-9-6-8(13)2-3-11(9)15-7-10(12)14/h2-3,6-7H,4-5,14H2,1H3
InChIKeyOVWNMLURWUKCMT-UHFFFAOYSA-N
XLogP2.72
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-bromo-4-(2-methylsulfonylethylsulfanyl)quinolin-3-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

6-bromo-4-N-(2-methylsulfonylethyl)quinoline-3,4-diamine
CID 54934689
4-bromo-2-(2-methylsulfonylethylsulfanyl)aniline
CID 65342550
6-bromo-4-phenylsulfanylquinolin-3-amine
CID 43621472
6-bromo-4-(2-fluorophenyl)sulfanylquinolin-3-amine
CID 43621479
6-bromo-4-(3-methylcyclohexyl)sulfanylquinolin-3-amine
CID 63538058
2-[4-bromo-2-(2-methylsulfonylethylsulfanyl)phenyl]ethanamine
CID 63836138
4-(2-methylsulfonylethylsulfanyl)pyridin-3-amine
CID 60917186
6-bromo-4-phenoxyquinolin-3-amine
CID 43621409
4-(2-methylsulfonylethylsulfanyl)quinazoline
CID 47096866
2-[(3-amino-6-bromoquinolin-4-yl)amino]butan-1-ol
CID 43621318
6-bromo-4-[3-(dimethylamino)propoxy]quinolin-3-amine
CID 61102494
6-bromo-4-(3-bromophenoxy)quinolin-3-amine
CID 43621410

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(2-methylsulfonylethylsulfanyl)quinolin-3-amine?
The IUPAC name of 6-bromo-4-(2-methylsulfonylethylsulfanyl)quinolin-3-amine (CID 63659896) is 6-bromo-4-(2-methylsulfonylethylsulfanyl)quinolin-3-amine.
What is the SMILES notation for 6-bromo-4-(2-methylsulfonylethylsulfanyl)quinolin-3-amine?
The canonical SMILES for 6-bromo-4-(2-methylsulfonylethylsulfanyl)quinolin-3-amine is CS(=O)(=O)CCSc1c(N)cnc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-4-(2-methylsulfonylethylsulfanyl)quinolin-3-amine?
The InChIKey is OVWNMLURWUKCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2S2/c1-19(16,17)5-4-18-12-9-6-8(13)2-3-11(9)15-7-10(12)14/h2-3,6-7H,4-5,14H2,1H3.
What are the key properties of 6-bromo-4-(2-methylsulfonylethylsulfanyl)quinolin-3-amine?
6-bromo-4-(2-methylsulfonylethylsulfanyl)quinolin-3-amine has a molecular weight of 361.29 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(2-methylsulfonylethylsulfanyl)quinolin-3-amine is sourced from PubChem (CID 63659896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).