1-(3-fluorophenyl)-2-(2-methylsulfonylethylsulfanyl)ethanamine

C11H16FNO2S2 — CID 107524195

IUPAC1-(3-fluorophenyl)-2-(2-methylsulfonylethylsulfanyl)ethanamine
SMILESCS(=O)(=O)CCSCC(N)c1cccc(F)c1
InChIInChI=1S/C11H16FNO2S2/c1-17(14,15)6-5-16-8-11(13)9-3-2-4-10(12)7-9/h2-4,7,11H,5-6,8,13H2,1H3
InChIKeyFHYGSGJRUYPRNL-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.60
Rot. Bonds6

About 1-(3-fluorophenyl)-2-(2-methylsulfonylethylsulfanyl)ethanamine

1-(3-fluorophenyl)-2-(2-methylsulfonylethylsulfanyl)ethanamine (PubChem CID 107524195) has the molecular formula C11H16FNO2S2 and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(2-methylsulfonylethylsulfanyl)ethanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(2-methylsulfonylethylsulfanyl)ethanamine
PubChem CID107524195
Molecular FormulaC11H16FNO2S2
Molecular Weight277.39 g/mol
Exact Mass277.06
IUPAC Name1-(3-fluorophenyl)-2-(2-methylsulfonylethylsulfanyl)ethanamine
SMILESCS(=O)(=O)CCSCC(N)c1cccc(F)c1
InChIInChI=1S/C11H16FNO2S2/c1-17(14,15)6-5-16-8-11(13)9-3-2-4-10(12)7-9/h2-4,7,11H,5-6,8,13H2,1H3
InChIKeyFHYGSGJRUYPRNL-UHFFFAOYSA-N
XLogP1.60
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(3-fluorophenyl)-2-methylsulfonylethanamine
CID 94451384
2-(3-fluorophenyl)-4-methylsulfonylbutan-1-amine
CID 79440305
3-[2-amino-2-(3-fluorophenyl)ethyl]sulfanyl-2-methylpropan-1-ol
CID 107525321
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
2-(2,4-difluorophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine
CID 107524316
1-(3-fluorophenyl)ethanesulfonamide
CID 62085639
2-(2,5-dimethylphenyl)sulfanyl-1-(3-fluorophenyl)ethanamine
CID 107524758
(1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
CID 171199137
(1S)-1-(3-fluorophenyl)butan-1-amine
CID 78961002
2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine
CID 66056474
1-(3-fluorophenyl)-2-(2-methoxyphenyl)sulfanylethanamine
CID 107525144
(1S)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171218667

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(2-methylsulfonylethylsulfanyl)ethanamine?
The IUPAC name of 1-(3-fluorophenyl)-2-(2-methylsulfonylethylsulfanyl)ethanamine (CID 107524195) is 1-(3-fluorophenyl)-2-(2-methylsulfonylethylsulfanyl)ethanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(2-methylsulfonylethylsulfanyl)ethanamine?
The canonical SMILES for 1-(3-fluorophenyl)-2-(2-methylsulfonylethylsulfanyl)ethanamine is CS(=O)(=O)CCSCC(N)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(2-methylsulfonylethylsulfanyl)ethanamine?
The InChIKey is FHYGSGJRUYPRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2S2/c1-17(14,15)6-5-16-8-11(13)9-3-2-4-10(12)7-9/h2-4,7,11H,5-6,8,13H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-2-(2-methylsulfonylethylsulfanyl)ethanamine?
1-(3-fluorophenyl)-2-(2-methylsulfonylethylsulfanyl)ethanamine has a molecular weight of 277.39 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(2-methylsulfonylethylsulfanyl)ethanamine is sourced from PubChem (CID 107524195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).