N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)pentan-1-amine

C15H24FNO2S — CID 103780964

IUPACN-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)pentan-1-amine
SMILESCCCCC(NCCS(=O)(=O)CC)c1ccc(F)cc1
InChIInChI=1S/C15H24FNO2S/c1-3-5-6-15(13-7-9-14(16)10-8-13)17-11-12-20(18,19)4-2/h7-10,15,17H,3-6,11-12H2,1-2H3
InChIKeyGLFVQPLTKGDKHQ-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.08
Rot. Bonds9

About N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)pentan-1-amine

N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)pentan-1-amine (PubChem CID 103780964) has the molecular formula C15H24FNO2S and a molecular weight of 301.43 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)pentan-1-amine.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)pentan-1-amine
PubChem CID103780964
Molecular FormulaC15H24FNO2S
Molecular Weight301.43 g/mol
Exact Mass301.15
IUPAC NameN-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)pentan-1-amine
SMILESCCCCC(NCCS(=O)(=O)CC)c1ccc(F)cc1
InChIInChI=1S/C15H24FNO2S/c1-3-5-6-15(13-7-9-14(16)10-8-13)17-11-12-20(18,19)4-2/h7-10,15,17H,3-6,11-12H2,1-2H3
InChIKeyGLFVQPLTKGDKHQ-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

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Related Compounds

2-[1-(4-fluorophenyl)pentylamino]-N,N-dimethylethanesulfonamide
CID 106335021
1-(4-fluorophenyl)-N-(3-methylsulfinylpropyl)pentan-1-amine
CID 115721013
(1R)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)ethanamine
CID 81347805
4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43107477
1-(4-fluorophenyl)-N-methoxypentan-1-amine
CID 82706495
1-(4-fluorophenyl)pentylhydrazine
CID 53402329
2-[1-(4-fluorophenyl)pentylamino]-N-methylacetamide
CID 43310401
N-(2-cyclohexylethyl)-1-(4-fluorophenyl)pentan-1-amine
CID 63448264
1-(4-fluorophenyl)-N-propan-2-ylpentan-1-amine
CID 43111233
1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)pentan-1-amine
CID 43126715
2-[1-(4-fluorophenyl)pentylamino]-N-(2-methylpropyl)acetamide
CID 115920167
3,5-difluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43105701

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)pentan-1-amine?
The IUPAC name of N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)pentan-1-amine (CID 103780964) is N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)pentan-1-amine.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)pentan-1-amine?
The canonical SMILES for N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)pentan-1-amine is CCCCC(NCCS(=O)(=O)CC)c1ccc(F)cc1.
What is the InChIKey of N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)pentan-1-amine?
The InChIKey is GLFVQPLTKGDKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2S/c1-3-5-6-15(13-7-9-14(16)10-8-13)17-11-12-20(18,19)4-2/h7-10,15,17H,3-6,11-12H2,1-2H3.
What are the key properties of N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)pentan-1-amine?
N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)pentan-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 N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)pentan-1-amine is sourced from PubChem (CID 103780964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).