1-(5-fluoro-2-pyridinyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine

C12H17FN2S — CID 115889052

IUPAC1-(5-fluoro-2-pyridinyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine
SMILESC=CCSCCNC(C)c1ccc(F)cn1
InChIInChI=1S/C12H17FN2S/c1-3-7-16-8-6-14-10(2)12-5-4-11(13)9-15-12/h3-5,9-10,14H,1,6-8H2,2H3
InChIKeyMIZCPWYAZWTEHK-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.79
Rot. Bonds7

About 1-(5-fluoro-2-pyridinyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine

1-(5-fluoro-2-pyridinyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine (PubChem CID 115889052) has the molecular formula C12H17FN2S and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine
PubChem CID115889052
Molecular FormulaC12H17FN2S
Molecular Weight240.35 g/mol
Exact Mass240.11
IUPAC Name1-(5-fluoro-2-pyridinyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine
SMILESC=CCSCCNC(C)c1ccc(F)cn1
InChIInChI=1S/C12H17FN2S/c1-3-7-16-8-6-14-10(2)12-5-4-11(13)9-15-12/h3-5,9-10,14H,1,6-8H2,2H3
InChIKeyMIZCPWYAZWTEHK-UHFFFAOYSA-N
XLogP2.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]ethanamine
CID 83119275
3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
CID 83117272
1-(2,3-difluorophenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 113352661
5-[1-(5-fluoro-2-pyridinyl)ethylamino]pentan-1-ol
CID 107303084
N-[1-(5-fluoro-2-pyridinyl)ethyl]but-3-yn-1-amine
CID 83119612
N-(2-prop-2-enylsulfanylethyl)-1-pyridin-4-ylethanamine
CID 115889029
N-[1-(5-fluoro-2-pyridinyl)ethyl]but-2-yn-1-amine
CID 115896973
1-(4-chlorophenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 115889012
1-(4-iodophenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 106425830
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2,2-dimethylbutan-1-amine
CID 103460664
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylbutan-1-amine
CID 83120285
N-(2-prop-2-enylsulfanylethyl)-1-thiophen-2-ylethanamine
CID 115889063

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine (CID 115889052) is 1-(5-fluoro-2-pyridinyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine is C=CCSCCNC(C)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine?
The InChIKey is MIZCPWYAZWTEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2S/c1-3-7-16-8-6-14-10(2)12-5-4-11(13)9-15-12/h3-5,9-10,14H,1,6-8H2,2H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine?
1-(5-fluoro-2-pyridinyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine has a molecular weight of 240.35 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine is sourced from PubChem (CID 115889052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).