4-ethylsulfonyl-1-(3-fluorophenyl)-N-propylbutan-1-amine

C15H24FNO2S — CID 65095394

IUPAC4-ethylsulfonyl-1-(3-fluorophenyl)-N-propylbutan-1-amine
SMILESCCCNC(CCCS(=O)(=O)CC)c1cccc(F)c1
InChIInChI=1S/C15H24FNO2S/c1-3-10-17-15(9-6-11-20(18,19)4-2)13-7-5-8-14(16)12-13/h5,7-8,12,15,17H,3-4,6,9-11H2,1-2H3
InChIKeyWPSSOVQWJPUPMD-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.08
Rot. Bonds9

About 4-ethylsulfonyl-1-(3-fluorophenyl)-N-propylbutan-1-amine

4-ethylsulfonyl-1-(3-fluorophenyl)-N-propylbutan-1-amine (PubChem CID 65095394) has the molecular formula C15H24FNO2S and a molecular weight of 301.43 g/mol. Its IUPAC name is 4-ethylsulfonyl-1-(3-fluorophenyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-ethylsulfonyl-1-(3-fluorophenyl)-N-propylbutan-1-amine
PubChem CID65095394
Molecular FormulaC15H24FNO2S
Molecular Weight301.43 g/mol
Exact Mass301.15
IUPAC Name4-ethylsulfonyl-1-(3-fluorophenyl)-N-propylbutan-1-amine
SMILESCCCNC(CCCS(=O)(=O)CC)c1cccc(F)c1
InChIInChI=1S/C15H24FNO2S/c1-3-10-17-15(9-6-11-20(18,19)4-2)13-7-5-8-14(16)12-13/h5,7-8,12,15,17H,3-4,6,9-11H2,1-2H3
InChIKeyWPSSOVQWJPUPMD-UHFFFAOYSA-N
XLogP3.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethylsulfonyl-1-(3-fluorophenyl)-N-propylbutan-1-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

N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine
CID 54964315
(1R)-N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine
CID 81364829
2-[[3-(3-fluorophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62643290
4-ethylsulfonyl-1-(5-methylfuran-3-yl)-N-propylbutan-1-amine
CID 115865314
1-(2,5-dibromophenyl)-4-ethylsulfonyl-N-propylbutan-1-amine
CID 115865316
1-(3-fluorophenyl)-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 105092665
1-(3-chloro-4-fluorophenyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 63192278
N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)pentan-1-amine
CID 103780964
1-(5-chloro-2-methylphenyl)-4-ethylsulfonyl-N-propylbutan-1-amine
CID 115865190
4-ethylsulfonyl-N-propyl-1-pyridin-2-ylbutan-1-amine
CID 65095498
1-(3-fluorophenyl)-N-methylheptan-1-amine
CID 62607373
4-ethoxy-N-ethyl-1-(3-fluorophenyl)butan-1-amine
CID 105092697

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-1-(3-fluorophenyl)-N-propylbutan-1-amine?
The IUPAC name of 4-ethylsulfonyl-1-(3-fluorophenyl)-N-propylbutan-1-amine (CID 65095394) is 4-ethylsulfonyl-1-(3-fluorophenyl)-N-propylbutan-1-amine.
What is the SMILES notation for 4-ethylsulfonyl-1-(3-fluorophenyl)-N-propylbutan-1-amine?
The canonical SMILES for 4-ethylsulfonyl-1-(3-fluorophenyl)-N-propylbutan-1-amine is CCCNC(CCCS(=O)(=O)CC)c1cccc(F)c1.
What is the InChIKey of 4-ethylsulfonyl-1-(3-fluorophenyl)-N-propylbutan-1-amine?
The InChIKey is WPSSOVQWJPUPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2S/c1-3-10-17-15(9-6-11-20(18,19)4-2)13-7-5-8-14(16)12-13/h5,7-8,12,15,17H,3-4,6,9-11H2,1-2H3.
What are the key properties of 4-ethylsulfonyl-1-(3-fluorophenyl)-N-propylbutan-1-amine?
4-ethylsulfonyl-1-(3-fluorophenyl)-N-propylbutan-1-amine has a molecular weight of 301.43 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-1-(3-fluorophenyl)-N-propylbutan-1-amine is sourced from PubChem (CID 65095394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).