N'-(2-ethylsulfonylethyl)-N'-(2-fluorophenyl)propane-1,3-diamine

C13H21FN2O2S — CID 43807495

IUPACN'-(2-ethylsulfonylethyl)-N'-(2-fluorophenyl)propane-1,3-diamine
SMILESCCS(=O)(=O)CCN(CCCN)c1ccccc1F
InChIInChI=1S/C13H21FN2O2S/c1-2-19(17,18)11-10-16(9-5-8-15)13-7-4-3-6-12(13)14/h3-4,6-7H,2,5,8-11,15H2,1H3
InChIKeyHFLVWONWEYYVEP-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.42
Rot. Bonds8

About N'-(2-ethylsulfonylethyl)-N'-(2-fluorophenyl)propane-1,3-diamine

N'-(2-ethylsulfonylethyl)-N'-(2-fluorophenyl)propane-1,3-diamine (PubChem CID 43807495) has the molecular formula C13H21FN2O2S and a molecular weight of 288.39 g/mol. Its IUPAC name is N'-(2-ethylsulfonylethyl)-N'-(2-fluorophenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-ethylsulfonylethyl)-N'-(2-fluorophenyl)propane-1,3-diamine
PubChem CID43807495
Molecular FormulaC13H21FN2O2S
Molecular Weight288.39 g/mol
Exact Mass288.13
IUPAC NameN'-(2-ethylsulfonylethyl)-N'-(2-fluorophenyl)propane-1,3-diamine
SMILESCCS(=O)(=O)CCN(CCCN)c1ccccc1F
InChIInChI=1S/C13H21FN2O2S/c1-2-19(17,18)11-10-16(9-5-8-15)13-7-4-3-6-12(13)14/h3-4,6-7H,2,5,8-11,15H2,1H3
InChIKeyHFLVWONWEYYVEP-UHFFFAOYSA-N
XLogP1.42
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2-fluorophenyl)-N'-(3-methoxypropyl)propane-1,3-diamine
CID 54935456
3-[N-(3-aminopropyl)-2-fluoroanilino]-N-ethylpropanamide
CID 62326935
N'-(3-ethylsulfonylpropyl)-N'-(3-fluorophenyl)propane-1,3-diamine
CID 65094027
N-(3-aminopropyl)-N-(2-fluorophenyl)-2-methylpropane-2-sulfonamide
CID 63688577
N'-(2,6-difluorophenyl)-N'-ethylpropane-1,3-diamine
CID 28792510
3-(N-butyl-2-fluoroanilino)propanoic acid
CID 82317948
N'-(2-ethylsulfonylethyl)-N'-(4-methoxyphenyl)propane-1,3-diamine
CID 43807496
N'-ethyl-N'-(2-ethylphenyl)propane-1,3-diamine
CID 28772957
1-(3-aminopropyl)-3-ethyl-1-(2-fluorophenyl)urea
CID 43164865
N'-benzyl-N'-(3-ethylsulfonylpropyl)propane-1,3-diamine
CID 107367797
N-ethyl-N-(2-fluorophenyl)-2-methylpentane-1,5-diamine
CID 113440602
3-[N-(2-aminoethyl)-2-fluoroanilino]propanoic acid
CID 117013428

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethylsulfonylethyl)-N'-(2-fluorophenyl)propane-1,3-diamine?
The IUPAC name of N'-(2-ethylsulfonylethyl)-N'-(2-fluorophenyl)propane-1,3-diamine (CID 43807495) is N'-(2-ethylsulfonylethyl)-N'-(2-fluorophenyl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-ethylsulfonylethyl)-N'-(2-fluorophenyl)propane-1,3-diamine?
The canonical SMILES for N'-(2-ethylsulfonylethyl)-N'-(2-fluorophenyl)propane-1,3-diamine is CCS(=O)(=O)CCN(CCCN)c1ccccc1F.
What is the InChIKey of N'-(2-ethylsulfonylethyl)-N'-(2-fluorophenyl)propane-1,3-diamine?
The InChIKey is HFLVWONWEYYVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O2S/c1-2-19(17,18)11-10-16(9-5-8-15)13-7-4-3-6-12(13)14/h3-4,6-7H,2,5,8-11,15H2,1H3.
What are the key properties of N'-(2-ethylsulfonylethyl)-N'-(2-fluorophenyl)propane-1,3-diamine?
N'-(2-ethylsulfonylethyl)-N'-(2-fluorophenyl)propane-1,3-diamine has a molecular weight of 288.39 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethylsulfonylethyl)-N'-(2-fluorophenyl)propane-1,3-diamine is sourced from PubChem (CID 43807495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).