N-ethyl-4-methylsulfonyl-1-quinolin-2-ylbutan-1-amine

C16H22N2O2S — CID 63222521

IUPACN-ethyl-4-methylsulfonyl-1-quinolin-2-ylbutan-1-amine
SMILESCCNC(CCCS(C)(=O)=O)c1ccc2ccccc2n1
InChIInChI=1S/C16H22N2O2S/c1-3-17-15(9-6-12-21(2,19)20)16-11-10-13-7-4-5-8-14(13)18-16/h4-5,7-8,10-11,15,17H,3,6,9,12H2,1-2H3
InChIKeyZJXDHAYTVZXHHI-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.71
Rot. Bonds7

About N-ethyl-4-methylsulfonyl-1-quinolin-2-ylbutan-1-amine

N-ethyl-4-methylsulfonyl-1-quinolin-2-ylbutan-1-amine (PubChem CID 63222521) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-ethyl-4-methylsulfonyl-1-quinolin-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methylsulfonyl-1-quinolin-2-ylbutan-1-amine
PubChem CID63222521
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-ethyl-4-methylsulfonyl-1-quinolin-2-ylbutan-1-amine
SMILESCCNC(CCCS(C)(=O)=O)c1ccc2ccccc2n1
InChIInChI=1S/C16H22N2O2S/c1-3-17-15(9-6-12-21(2,19)20)16-11-10-13-7-4-5-8-14(13)18-16/h4-5,7-8,10-11,15,17H,3,6,9,12H2,1-2H3
InChIKeyZJXDHAYTVZXHHI-UHFFFAOYSA-N
XLogP2.71
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methylsulfonyl-1-quinolin-2-ylbutan-1-ol
CID 55162729
N-ethyl-4-methylsulfonyl-1-naphthalen-2-ylbutan-1-amine
CID 63192640
N-ethyl-4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
CID 105113033
N-ethyl-3-(oxolan-2-yl)-1-quinolin-2-ylpropan-1-amine
CID 65164311
N-ethyl-4-methylsulfonyl-1-pyrimidin-5-ylbutan-1-amine
CID 102923316
N-ethyl-1-(2-methylpyrimidin-4-yl)-3-methylsulfonylpropan-1-amine
CID 115530771
1-(2,3-dimethylphenyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 115820292
N-[phenyl(quinolin-2-yl)methyl]ethanamine
CID 63222857
N-ethyl-4-methylsulfonyl-1-(3-methylsulfonylphenyl)butan-1-amine
CID 115820906
1-(2-methylpyrimidin-4-yl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 115530977
N-ethyl-2-quinolin-2-ylpentan-3-amine
CID 63560957
1-(3-ethoxyphenyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 63192449

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methylsulfonyl-1-quinolin-2-ylbutan-1-amine?
The IUPAC name of N-ethyl-4-methylsulfonyl-1-quinolin-2-ylbutan-1-amine (CID 63222521) is N-ethyl-4-methylsulfonyl-1-quinolin-2-ylbutan-1-amine.
What is the SMILES notation for N-ethyl-4-methylsulfonyl-1-quinolin-2-ylbutan-1-amine?
The canonical SMILES for N-ethyl-4-methylsulfonyl-1-quinolin-2-ylbutan-1-amine is CCNC(CCCS(C)(=O)=O)c1ccc2ccccc2n1.
What is the InChIKey of N-ethyl-4-methylsulfonyl-1-quinolin-2-ylbutan-1-amine?
The InChIKey is ZJXDHAYTVZXHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-3-17-15(9-6-12-21(2,19)20)16-11-10-13-7-4-5-8-14(13)18-16/h4-5,7-8,10-11,15,17H,3,6,9,12H2,1-2H3.
What are the key properties of N-ethyl-4-methylsulfonyl-1-quinolin-2-ylbutan-1-amine?
N-ethyl-4-methylsulfonyl-1-quinolin-2-ylbutan-1-amine has a molecular weight of 306.43 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methylsulfonyl-1-quinolin-2-ylbutan-1-amine is sourced from PubChem (CID 63222521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).