2-methyl-N-(2-methylsulfonylethyl)quinolin-4-amine

C13H16N2O2S — CID 54934838

IUPAC2-methyl-N-(2-methylsulfonylethyl)quinolin-4-amine
SMILESCc1cc(NCCS(C)(=O)=O)c2ccccc2n1
InChIInChI=1S/C13H16N2O2S/c1-10-9-13(14-7-8-18(2,16)17)11-5-3-4-6-12(11)15-10/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyWFYHSJURRCTFLO-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.00
Rot. Bonds4

About 2-methyl-N-(2-methylsulfonylethyl)quinolin-4-amine

2-methyl-N-(2-methylsulfonylethyl)quinolin-4-amine (PubChem CID 54934838) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-methyl-N-(2-methylsulfonylethyl)quinolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylsulfonylethyl)quinolin-4-amine
PubChem CID54934838
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-methyl-N-(2-methylsulfonylethyl)quinolin-4-amine
SMILESCc1cc(NCCS(C)(=O)=O)c2ccccc2n1
InChIInChI=1S/C13H16N2O2S/c1-10-9-13(14-7-8-18(2,16)17)11-5-3-4-6-12(11)15-10/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyWFYHSJURRCTFLO-UHFFFAOYSA-N
XLogP2.00
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(3-methylsulfonylpropyl)quinolin-4-amine
CID 54904913
2-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]quinolin-4-amine
CID 71996177
2-[(2-methylquinolin-4-yl)amino]ethanesulfonamide
CID 43552334
4-(2-methylsulfonylethylamino)quinoline-2-carboxylic acid
CID 63374041
2-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinolin-4-amine
CID 75430530
N-[3-[(2-methylquinolin-4-yl)amino]propyl]ethanesulfonamide
CID 49431740
bis(N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine);bis(N,N'-bis(2-methylquinolin-4-yl)dodecane-1,12-diamine);hydrate
CID 158378182
N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfonylethanamine
CID 78943321
N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride
CID 46735889
N-(2-methylquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664297
4-[(2-methylquinolin-4-yl)amino]butanoic acid
CID 43419953
N-(4-chlorobutyl)-2-methylquinolin-4-amine
CID 106845127

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylsulfonylethyl)quinolin-4-amine?
The IUPAC name of 2-methyl-N-(2-methylsulfonylethyl)quinolin-4-amine (CID 54934838) is 2-methyl-N-(2-methylsulfonylethyl)quinolin-4-amine.
What is the SMILES notation for 2-methyl-N-(2-methylsulfonylethyl)quinolin-4-amine?
The canonical SMILES for 2-methyl-N-(2-methylsulfonylethyl)quinolin-4-amine is Cc1cc(NCCS(C)(=O)=O)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-(2-methylsulfonylethyl)quinolin-4-amine?
The InChIKey is WFYHSJURRCTFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-10-9-13(14-7-8-18(2,16)17)11-5-3-4-6-12(11)15-10/h3-6,9H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-N-(2-methylsulfonylethyl)quinolin-4-amine?
2-methyl-N-(2-methylsulfonylethyl)quinolin-4-amine has a molecular weight of 264.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylsulfonylethyl)quinolin-4-amine is sourced from PubChem (CID 54934838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).