N-methyl-1-(2-methylquinolin-4-yl)-4-methylsulfonylbutan-1-amine

C16H22N2O2S — CID 105112992

IUPACN-methyl-1-(2-methylquinolin-4-yl)-4-methylsulfonylbutan-1-amine
SMILESCNC(CCCS(C)(=O)=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C16H22N2O2S/c1-12-11-14(13-7-4-5-8-16(13)18-12)15(17-2)9-6-10-21(3,19)20/h4-5,7-8,11,15,17H,6,9-10H2,1-3H3
InChIKeyJXGBLPIKEUHMRA-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.63
Rot. Bonds6

About N-methyl-1-(2-methylquinolin-4-yl)-4-methylsulfonylbutan-1-amine

N-methyl-1-(2-methylquinolin-4-yl)-4-methylsulfonylbutan-1-amine (PubChem CID 105112992) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-methyl-1-(2-methylquinolin-4-yl)-4-methylsulfonylbutan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylquinolin-4-yl)-4-methylsulfonylbutan-1-amine
PubChem CID105112992
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-methyl-1-(2-methylquinolin-4-yl)-4-methylsulfonylbutan-1-amine
SMILESCNC(CCCS(C)(=O)=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C16H22N2O2S/c1-12-11-14(13-7-4-5-8-16(13)18-12)15(17-2)9-6-10-21(3,19)20/h4-5,7-8,11,15,17H,6,9-10H2,1-3H3
InChIKeyJXGBLPIKEUHMRA-UHFFFAOYSA-N
XLogP2.63
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(2-methylquinolin-4-yl)butan-1-amine
CID 105080240
2-methyl-N-(3-methylsulfonylpropyl)quinolin-4-amine
CID 54904913
N-methyl-1-(2-methylphenyl)-4-methylsulfonylbutan-1-amine
CID 63192498
2-methyl-N-(2-methylsulfonylethyl)quinolin-4-amine
CID 54934838
2-cyclobutyl-N-methyl-1-(2-methylquinolin-4-yl)ethanamine
CID 105151599
1-(1-benzofuran-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 63192280
1-(2-tert-butylphenyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 115821094
2-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]quinolin-4-amine
CID 71996177
1-(2,4-dibromophenyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 114019233
N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfonylethanamine
CID 78943321
N-methyl-3-(2-methylquinolin-4-yl)butan-2-amine
CID 63199652
1-(2-methylquinolin-4-yl)pentan-1-ol
CID 79235698

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylquinolin-4-yl)-4-methylsulfonylbutan-1-amine?
The IUPAC name of N-methyl-1-(2-methylquinolin-4-yl)-4-methylsulfonylbutan-1-amine (CID 105112992) is N-methyl-1-(2-methylquinolin-4-yl)-4-methylsulfonylbutan-1-amine.
What is the SMILES notation for N-methyl-1-(2-methylquinolin-4-yl)-4-methylsulfonylbutan-1-amine?
The canonical SMILES for N-methyl-1-(2-methylquinolin-4-yl)-4-methylsulfonylbutan-1-amine is CNC(CCCS(C)(=O)=O)c1cc(C)nc2ccccc12.
What is the InChIKey of N-methyl-1-(2-methylquinolin-4-yl)-4-methylsulfonylbutan-1-amine?
The InChIKey is JXGBLPIKEUHMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-12-11-14(13-7-4-5-8-16(13)18-12)15(17-2)9-6-10-21(3,19)20/h4-5,7-8,11,15,17H,6,9-10H2,1-3H3.
What are the key properties of N-methyl-1-(2-methylquinolin-4-yl)-4-methylsulfonylbutan-1-amine?
N-methyl-1-(2-methylquinolin-4-yl)-4-methylsulfonylbutan-1-amine has a molecular weight of 306.43 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylquinolin-4-yl)-4-methylsulfonylbutan-1-amine is sourced from PubChem (CID 105112992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).