(1R)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)ethanamine

C12H18FNO2S — CID 81347805

IUPAC(1R)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)ethanamine
SMILESCCS(=O)(=O)CCN[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C12H18FNO2S/c1-3-17(15,16)9-8-14-10(2)11-4-6-12(13)7-5-11/h4-7,10,14H,3,8-9H2,1-2H3/t10-/m1/s1
InChIKeyWYNMREGSNSYXGS-SNVBAGLBSA-N
MW259.35 g/mol
LogP1.91
Rot. Bonds6

About (1R)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)ethanamine

(1R)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)ethanamine (PubChem CID 81347805) has the molecular formula C12H18FNO2S and a molecular weight of 259.35 g/mol. Its IUPAC name is (1R)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)ethanamine
PubChem CID81347805
Molecular FormulaC12H18FNO2S
Molecular Weight259.35 g/mol
Exact Mass259.10
IUPAC Name(1R)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)ethanamine
SMILESCCS(=O)(=O)CCN[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C12H18FNO2S/c1-3-17(15,16)9-8-14-10(2)11-4-6-12(13)7-5-11/h4-7,10,14H,3,8-9H2,1-2H3/t10-/m1/s1
InChIKeyWYNMREGSNSYXGS-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

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Related Compounds

N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine
CID 54964315
(1R)-N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine
CID 81364829
1-(4-ethoxyphenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103710433
1-(3,4-dimethylphenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103780942
N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)pentan-1-amine
CID 103780964
(1R)-1-(4-chlorophenyl)-N-(2-propylsulfonylethyl)ethanamine
CID 106724080
N-ethyl-1-(4-fluorophenyl)ethanamine
CID 21251078
1-(2-chloro-4-fluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103780933
N'-[1-(4-fluorophenyl)ethyl]ethane-1,2-diamine
CID 60887762
N-[(1S)-1-(4-fluorophenyl)ethyl]propane-1-sulfonamide
CID 81349430
N-ethyl-N-[3-[1-(4-fluorophenyl)ethylamino]propyl]methanesulfonamide
CID 61014614
N-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanesulfonamide
CID 102676134

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)ethanamine?
The IUPAC name of (1R)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)ethanamine (CID 81347805) is (1R)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for (1R)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)ethanamine is CCS(=O)(=O)CCN[C@H](C)c1ccc(F)cc1.
What is the InChIKey of (1R)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)ethanamine?
The InChIKey is WYNMREGSNSYXGS-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18FNO2S/c1-3-17(15,16)9-8-14-10(2)11-4-6-12(13)7-5-11/h4-7,10,14H,3,8-9H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)ethanamine?
(1R)-N-(2-ethylsulfonylethyl)-1-(4-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-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 81347805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).