(1R)-N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine

C12H18FNO2S — CID 81364829

IUPAC(1R)-N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine
SMILESCCS(=O)(=O)CCN[C@H](C)c1cccc(F)c1
InChIInChI=1S/C12H18FNO2S/c1-3-17(15,16)8-7-14-10(2)11-5-4-6-12(13)9-11/h4-6,9-10,14H,3,7-8H2,1-2H3/t10-/m1/s1
InChIKeyYUVDQJGTUWKRFY-SNVBAGLBSA-N
MW259.35 g/mol
LogP1.91
Rot. Bonds6

About (1R)-N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine

(1R)-N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine (PubChem CID 81364829) has the molecular formula C12H18FNO2S and a molecular weight of 259.35 g/mol. Its IUPAC name is (1R)-N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine
PubChem CID81364829
Molecular FormulaC12H18FNO2S
Molecular Weight259.35 g/mol
Exact Mass259.10
IUPAC Name(1R)-N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine
SMILESCCS(=O)(=O)CCN[C@H](C)c1cccc(F)c1
InChIInChI=1S/C12H18FNO2S/c1-3-17(15,16)8-7-14-10(2)11-5-4-6-12(13)9-11/h4-6,9-10,14H,3,7-8H2,1-2H3/t10-/m1/s1
InChIKeyYUVDQJGTUWKRFY-SNVBAGLBSA-N
XLogP1.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)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-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine
CID 54964315
3-[1-(3-fluorophenyl)ethylamino]propane-1-sulfonic acid
CID 58691957
(1R)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)ethanamine
CID 81347805
N-[1-(3-fluorophenyl)ethyl]octan-1-amine
CID 43085696
(2S)-1-ethylsulfonyl-N-[(1R)-1-(3-fluorophenyl)ethyl]propan-2-amine
CID 97070520
(2S)-4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butan-2-ol
CID 96787699
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine
CID 83155543
4-ethylsulfonyl-1-(3-fluorophenyl)-N-propylbutan-1-amine
CID 65095394
1-bromo-N-[1-(3-fluorophenyl)ethyl]methanesulfonamide
CID 83086983
3,3-diethoxy-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine
CID 81365209
4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butanoic acid
CID 81365721
1-(2-chloro-4-fluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103780933

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine?
The IUPAC name of (1R)-N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine (CID 81364829) is (1R)-N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for (1R)-N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine is CCS(=O)(=O)CCN[C@H](C)c1cccc(F)c1.
What is the InChIKey of (1R)-N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine?
The InChIKey is YUVDQJGTUWKRFY-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18FNO2S/c1-3-17(15,16)8-7-14-10(2)11-5-4-6-12(13)9-11/h4-6,9-10,14H,3,7-8H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine?
(1R)-N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine has a molecular weight of 259.35 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 81364829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).