N'-(3-ethylsulfonylpropyl)-N'-(3-fluorophenyl)propane-1,3-diamine

C14H23FN2O2S — CID 65094027

IUPACN'-(3-ethylsulfonylpropyl)-N'-(3-fluorophenyl)propane-1,3-diamine
SMILESCCS(=O)(=O)CCCN(CCCN)c1cccc(F)c1
InChIInChI=1S/C14H23FN2O2S/c1-2-20(18,19)11-5-10-17(9-4-8-16)14-7-3-6-13(15)12-14/h3,6-7,12H,2,4-5,8-11,16H2,1H3
InChIKeyIRNBSRVAAMIRAX-UHFFFAOYSA-N
MW302.41 g/mol
LogP1.81
Rot. Bonds9

About N'-(3-ethylsulfonylpropyl)-N'-(3-fluorophenyl)propane-1,3-diamine

N'-(3-ethylsulfonylpropyl)-N'-(3-fluorophenyl)propane-1,3-diamine (PubChem CID 65094027) has the molecular formula C14H23FN2O2S and a molecular weight of 302.41 g/mol. Its IUPAC name is N'-(3-ethylsulfonylpropyl)-N'-(3-fluorophenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-ethylsulfonylpropyl)-N'-(3-fluorophenyl)propane-1,3-diamine
PubChem CID65094027
Molecular FormulaC14H23FN2O2S
Molecular Weight302.41 g/mol
Exact Mass302.15
IUPAC NameN'-(3-ethylsulfonylpropyl)-N'-(3-fluorophenyl)propane-1,3-diamine
SMILESCCS(=O)(=O)CCCN(CCCN)c1cccc(F)c1
InChIInChI=1S/C14H23FN2O2S/c1-2-20(18,19)11-5-10-17(9-4-8-16)14-7-3-6-13(15)12-14/h3,6-7,12H,2,4-5,8-11,16H2,1H3
InChIKeyIRNBSRVAAMIRAX-UHFFFAOYSA-N
XLogP1.81
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[2-(diethylamino)ethyl]-N'-(3-fluorophenyl)propane-1,3-diamine
CID 43319044
1-[3-aminopropyl(ethylsulfamoyl)amino]-3-fluorobenzene
CID 114803403
4-[N-(3-aminopropyl)-3-fluoroanilino]-2-methylbutan-2-ol
CID 79361728
N-(3-aminopropyl)-N-(3-fluorophenyl)-1-methylsulfonylmethanesulfonamide
CID 82839894
N'-[(3,5-difluorophenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine
CID 104530933
N'-(2-ethylsulfonylethyl)-N'-(2-fluorophenyl)propane-1,3-diamine
CID 43807495
N'-[(3,5-dimethylphenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine
CID 63487332
N-(3-aminopropyl)-1,1-difluoro-N-(3-fluorophenyl)methanesulfonamide
CID 43136203
N'-(3-methoxyphenyl)-N'-(3-methylsulfonylpropyl)propane-1,3-diamine
CID 63190455
N'-(3-fluorophenyl)-N'-(2-pyrazol-1-ylethyl)propane-1,3-diamine
CID 61492057
N-(3-aminopropyl)-N-(3-fluorophenyl)-3-methoxypropane-1-sulfonamide
CID 63290337
1-(3-aminopropyl)-3-ethyl-1-(3-fluorophenyl)urea
CID 43164864

Frequently Asked Questions

What is the IUPAC name of N'-(3-ethylsulfonylpropyl)-N'-(3-fluorophenyl)propane-1,3-diamine?
The IUPAC name of N'-(3-ethylsulfonylpropyl)-N'-(3-fluorophenyl)propane-1,3-diamine (CID 65094027) is N'-(3-ethylsulfonylpropyl)-N'-(3-fluorophenyl)propane-1,3-diamine.
What is the SMILES notation for N'-(3-ethylsulfonylpropyl)-N'-(3-fluorophenyl)propane-1,3-diamine?
The canonical SMILES for N'-(3-ethylsulfonylpropyl)-N'-(3-fluorophenyl)propane-1,3-diamine is CCS(=O)(=O)CCCN(CCCN)c1cccc(F)c1.
What is the InChIKey of N'-(3-ethylsulfonylpropyl)-N'-(3-fluorophenyl)propane-1,3-diamine?
The InChIKey is IRNBSRVAAMIRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2S/c1-2-20(18,19)11-5-10-17(9-4-8-16)14-7-3-6-13(15)12-14/h3,6-7,12H,2,4-5,8-11,16H2,1H3.
What are the key properties of N'-(3-ethylsulfonylpropyl)-N'-(3-fluorophenyl)propane-1,3-diamine?
N'-(3-ethylsulfonylpropyl)-N'-(3-fluorophenyl)propane-1,3-diamine has a molecular weight of 302.41 g/mol, XLogP of 1.81, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethylsulfonylpropyl)-N'-(3-fluorophenyl)propane-1,3-diamine is sourced from PubChem (CID 65094027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).