4-ethylsulfonyl-1-quinolin-5-ylbutan-1-amine

C15H20N2O2S — CID 105152572

IUPAC4-ethylsulfonyl-1-quinolin-5-ylbutan-1-amine
SMILESCCS(=O)(=O)CCCC(N)c1cccc2ncccc12
InChIInChI=1S/C15H20N2O2S/c1-2-20(18,19)11-5-8-14(16)12-6-3-9-15-13(12)7-4-10-17-15/h3-4,6-7,9-10,14H,2,5,8,11,16H2,1H3
InChIKeyUOTRSFPGVBIJSL-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.45
Rot. Bonds6

About 4-ethylsulfonyl-1-quinolin-5-ylbutan-1-amine

4-ethylsulfonyl-1-quinolin-5-ylbutan-1-amine (PubChem CID 105152572) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-ethylsulfonyl-1-quinolin-5-ylbutan-1-amine.

Molecular Properties

Compound Name4-ethylsulfonyl-1-quinolin-5-ylbutan-1-amine
PubChem CID105152572
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name4-ethylsulfonyl-1-quinolin-5-ylbutan-1-amine
SMILESCCS(=O)(=O)CCCC(N)c1cccc2ncccc12
InChIInChI=1S/C15H20N2O2S/c1-2-20(18,19)11-5-8-14(16)12-6-3-9-15-13(12)7-4-10-17-15/h3-4,6-7,9-10,14H,2,5,8,11,16H2,1H3
InChIKeyUOTRSFPGVBIJSL-UHFFFAOYSA-N
XLogP2.45
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylsulfonyl-1-quinolin-5-ylbutyl)hydrazine
CID 105310780
4-methyl-1-quinolin-5-ylpentan-1-amine
CID 81232092
N',N'-dimethyl-1-quinolin-5-ylpropane-1,3-diamine
CID 113291189
1-quinolin-5-ylethane-1,2-diamine
CID 55275195
(1R)-1-quinolin-5-ylethane-1,2-diamine
CID 66516625
(1S)-1-quinolin-4-ylhexan-1-amine
CID 171236624
1-quinolin-5-ylpent-4-en-1-amine
CID 105153398
(1S)-1-quinolin-4-ylhexan-1-amine;hydrochloride
CID 171236625
(1R)-1-quinolin-5-ylethanamine
CID 55277010
4-ethylsulfonyl-1-(2-fluorophenyl)butan-1-amine
CID 65095963
4-methylsulfonyl-1-naphthalen-1-ylbutan-1-amine
CID 63192592
2-methyl-2-methylsulfonyl-1-quinolin-5-ylpropan-1-amine
CID 105020159

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-1-quinolin-5-ylbutan-1-amine?
The IUPAC name of 4-ethylsulfonyl-1-quinolin-5-ylbutan-1-amine (CID 105152572) is 4-ethylsulfonyl-1-quinolin-5-ylbutan-1-amine.
What is the SMILES notation for 4-ethylsulfonyl-1-quinolin-5-ylbutan-1-amine?
The canonical SMILES for 4-ethylsulfonyl-1-quinolin-5-ylbutan-1-amine is CCS(=O)(=O)CCCC(N)c1cccc2ncccc12.
What is the InChIKey of 4-ethylsulfonyl-1-quinolin-5-ylbutan-1-amine?
The InChIKey is UOTRSFPGVBIJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-2-20(18,19)11-5-8-14(16)12-6-3-9-15-13(12)7-4-10-17-15/h3-4,6-7,9-10,14H,2,5,8,11,16H2,1H3.
What are the key properties of 4-ethylsulfonyl-1-quinolin-5-ylbutan-1-amine?
4-ethylsulfonyl-1-quinolin-5-ylbutan-1-amine has a molecular weight of 292.40 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-1-quinolin-5-ylbutan-1-amine is sourced from PubChem (CID 105152572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).