5-ethylsulfonyl-1-(4-fluorophenyl)-N-propylpentan-2-amine

C16H26FNO2S — CID 65095900

IUPAC5-ethylsulfonyl-1-(4-fluorophenyl)-N-propylpentan-2-amine
SMILESCCCNC(CCCS(=O)(=O)CC)Cc1ccc(F)cc1
InChIInChI=1S/C16H26FNO2S/c1-3-11-18-16(6-5-12-21(19,20)4-2)13-14-7-9-15(17)10-8-14/h7-10,16,18H,3-6,11-13H2,1-2H3
InChIKeyJKODTVNKHHCPKU-UHFFFAOYSA-N
MW315.45 g/mol
LogP2.95
Rot. Bonds10

About 5-ethylsulfonyl-1-(4-fluorophenyl)-N-propylpentan-2-amine

5-ethylsulfonyl-1-(4-fluorophenyl)-N-propylpentan-2-amine (PubChem CID 65095900) has the molecular formula C16H26FNO2S and a molecular weight of 315.45 g/mol. Its IUPAC name is 5-ethylsulfonyl-1-(4-fluorophenyl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name5-ethylsulfonyl-1-(4-fluorophenyl)-N-propylpentan-2-amine
PubChem CID65095900
Molecular FormulaC16H26FNO2S
Molecular Weight315.45 g/mol
Exact Mass315.17
IUPAC Name5-ethylsulfonyl-1-(4-fluorophenyl)-N-propylpentan-2-amine
SMILESCCCNC(CCCS(=O)(=O)CC)Cc1ccc(F)cc1
InChIInChI=1S/C16H26FNO2S/c1-3-11-18-16(6-5-12-21(19,20)4-2)13-14-7-9-15(17)10-8-14/h7-10,16,18H,3-6,11-13H2,1-2H3
InChIKeyJKODTVNKHHCPKU-UHFFFAOYSA-N
XLogP2.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-propylheptan-2-amine
CID 55187752
1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine
CID 60818688
5,5,5-trifluoro-1-(4-fluorophenyl)-N-propylpentan-2-amine
CID 64564942
5-methylsulfonyl-N-propyl-1-pyridin-4-ylpentan-2-amine
CID 55163915
5-ethylsulfonyl-N-methyl-1-(4-methylphenyl)pentan-2-amine
CID 65095558
1-(4-ethylphenyl)-N-propylnonan-2-amine
CID 115803240
5-ethylsulfonyl-1-methylsulfonyl-N-propylpentan-2-amine
CID 115646739
4-ethylsulfonyl-1-(3-fluorophenyl)-N-propylbutan-1-amine
CID 65095394
1-(4-iodophenyl)-N-propyldecan-2-amine
CID 115864004
1-(4-chlorophenyl)-N-propyldecan-2-amine
CID 63413044
N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)pentan-1-amine
CID 103780964
1-(4-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62551911

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-1-(4-fluorophenyl)-N-propylpentan-2-amine?
The IUPAC name of 5-ethylsulfonyl-1-(4-fluorophenyl)-N-propylpentan-2-amine (CID 65095900) is 5-ethylsulfonyl-1-(4-fluorophenyl)-N-propylpentan-2-amine.
What is the SMILES notation for 5-ethylsulfonyl-1-(4-fluorophenyl)-N-propylpentan-2-amine?
The canonical SMILES for 5-ethylsulfonyl-1-(4-fluorophenyl)-N-propylpentan-2-amine is CCCNC(CCCS(=O)(=O)CC)Cc1ccc(F)cc1.
What is the InChIKey of 5-ethylsulfonyl-1-(4-fluorophenyl)-N-propylpentan-2-amine?
The InChIKey is JKODTVNKHHCPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO2S/c1-3-11-18-16(6-5-12-21(19,20)4-2)13-14-7-9-15(17)10-8-14/h7-10,16,18H,3-6,11-13H2,1-2H3.
What are the key properties of 5-ethylsulfonyl-1-(4-fluorophenyl)-N-propylpentan-2-amine?
5-ethylsulfonyl-1-(4-fluorophenyl)-N-propylpentan-2-amine has a molecular weight of 315.45 g/mol, XLogP of 2.95, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-1-(4-fluorophenyl)-N-propylpentan-2-amine is sourced from PubChem (CID 65095900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).