N-ethyl-1-[5-fluoro-2-(2-methylsulfonylethylsulfanyl)phenyl]ethanamine

C13H20FNO2S2 — CID 63659572

IUPACN-ethyl-1-[5-fluoro-2-(2-methylsulfonylethylsulfanyl)phenyl]ethanamine
SMILESCCNC(C)c1cc(F)ccc1SCCS(C)(=O)=O
InChIInChI=1S/C13H20FNO2S2/c1-4-15-10(2)12-9-11(14)5-6-13(12)18-7-8-19(3,16)17/h5-6,9-10,15H,4,7-8H2,1-3H3
InChIKeyQDHPDTHERGFWGX-UHFFFAOYSA-N
MW305.44 g/mol
LogP2.63
Rot. Bonds7

About N-ethyl-1-[5-fluoro-2-(2-methylsulfonylethylsulfanyl)phenyl]ethanamine

N-ethyl-1-[5-fluoro-2-(2-methylsulfonylethylsulfanyl)phenyl]ethanamine (PubChem CID 63659572) has the molecular formula C13H20FNO2S2 and a molecular weight of 305.44 g/mol. Its IUPAC name is N-ethyl-1-[5-fluoro-2-(2-methylsulfonylethylsulfanyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-fluoro-2-(2-methylsulfonylethylsulfanyl)phenyl]ethanamine
PubChem CID63659572
Molecular FormulaC13H20FNO2S2
Molecular Weight305.44 g/mol
Exact Mass305.09
IUPAC NameN-ethyl-1-[5-fluoro-2-(2-methylsulfonylethylsulfanyl)phenyl]ethanamine
SMILESCCNC(C)c1cc(F)ccc1SCCS(C)(=O)=O
InChIInChI=1S/C13H20FNO2S2/c1-4-15-10(2)12-9-11(14)5-6-13(12)18-7-8-19(3,16)17/h5-6,9-10,15H,4,7-8H2,1-3H3
InChIKeyQDHPDTHERGFWGX-UHFFFAOYSA-N
XLogP2.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-1-[5-fluoro-2-(2-methylsulfonylethylsulfanyl)phenyl]ethanamine 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-ethyl-1-[5-fluoro-2-(3-methylbutylsulfanyl)phenyl]ethanamine
CID 107750935
N-ethyl-1-(2-ethylsulfanyl-5-fluorophenyl)ethanamine
CID 43286078
N-ethyl-1-[5-fluoro-2-(3-methoxypropylsulfanyl)phenyl]ethanamine
CID 55260348
N-[[5-fluoro-2-(2-methylsulfonylethylsulfanyl)phenyl]methyl]-2-methylpropan-2-amine
CID 63805350
N-ethyl-1-(5-fluoro-2-pyrimidin-2-ylsulfanylphenyl)ethanamine
CID 43286467
N-[[5-fluoro-2-(2-methylsulfonylethylsulfanyl)phenyl]methyl]propan-1-amine
CID 63806922
1-(5-fluoro-2-propylsulfanylphenyl)-N-methylethanamine
CID 43286109
N-ethyl-1-[5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine
CID 61385255
2-(3-ethylsulfonylpropylsulfanyl)-5-fluoroaniline
CID 65093509
1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]-N-ethylethanamine
CID 43286578
N-ethyl-1-[5-fluoro-2-(2-methylbutan-2-yloxy)phenyl]ethanamine
CID 43285833
N-ethyl-1-(4-fluorophenyl)ethanamine
CID 21251078

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-fluoro-2-(2-methylsulfonylethylsulfanyl)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[5-fluoro-2-(2-methylsulfonylethylsulfanyl)phenyl]ethanamine (CID 63659572) is N-ethyl-1-[5-fluoro-2-(2-methylsulfonylethylsulfanyl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-fluoro-2-(2-methylsulfonylethylsulfanyl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-fluoro-2-(2-methylsulfonylethylsulfanyl)phenyl]ethanamine is CCNC(C)c1cc(F)ccc1SCCS(C)(=O)=O.
What is the InChIKey of N-ethyl-1-[5-fluoro-2-(2-methylsulfonylethylsulfanyl)phenyl]ethanamine?
The InChIKey is QDHPDTHERGFWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2S2/c1-4-15-10(2)12-9-11(14)5-6-13(12)18-7-8-19(3,16)17/h5-6,9-10,15H,4,7-8H2,1-3H3.
What are the key properties of N-ethyl-1-[5-fluoro-2-(2-methylsulfonylethylsulfanyl)phenyl]ethanamine?
N-ethyl-1-[5-fluoro-2-(2-methylsulfonylethylsulfanyl)phenyl]ethanamine has a molecular weight of 305.44 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-fluoro-2-(2-methylsulfonylethylsulfanyl)phenyl]ethanamine is sourced from PubChem (CID 63659572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).