1-(5-chlorothiophen-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine

C9H11ClF3NS2 — CID 102976447

IUPAC1-(5-chlorothiophen-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
SMILESCC(NCCSC(F)(F)F)c1csc(Cl)c1
InChIInChI=1S/C9H11ClF3NS2/c1-6(7-4-8(10)15-5-7)14-2-3-16-9(11,12)13/h4-6,14H,2-3H2,1H3
InChIKeyQEQVDOYAMYOERV-UHFFFAOYSA-N
MW289.78 g/mol
LogP4.31
Rot. Bonds5

About 1-(5-chlorothiophen-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine

1-(5-chlorothiophen-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine (PubChem CID 102976447) has the molecular formula C9H11ClF3NS2 and a molecular weight of 289.78 g/mol. Its IUPAC name is 1-(5-chlorothiophen-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
PubChem CID102976447
Molecular FormulaC9H11ClF3NS2
Molecular Weight289.78 g/mol
Exact Mass289.00
IUPAC Name1-(5-chlorothiophen-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
SMILESCC(NCCSC(F)(F)F)c1csc(Cl)c1
InChIInChI=1S/C9H11ClF3NS2/c1-6(7-4-8(10)15-5-7)14-2-3-16-9(11,12)13/h4-6,14H,2-3H2,1H3
InChIKeyQEQVDOYAMYOERV-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 113260353
4-[1-(5-chlorothiophen-3-yl)ethylamino]butan-2-ol
CID 102976600
1-(5-chlorothiophen-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 102976976
1-(5-chlorothiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 114082694
1-(4-tert-butylphenyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106426895
(1R)-1-pyridin-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104891295
N-[1-(5-chlorothiophen-3-yl)ethyl]-4-methoxybutan-1-amine
CID 102976419
1-thiophen-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 115710733
(1S)-1-thiophen-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104891288
(1S)-1-(3-bromophenyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104891274
N-[1-(5-chlorothiophen-3-yl)ethyl]-4-propan-2-yloxybutan-1-amine
CID 102976967
3-[[1-(5-chlorothiophen-3-yl)ethylamino]methyl]pentan-3-ol
CID 102976523

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The IUPAC name of 1-(5-chlorothiophen-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine (CID 102976447) is 1-(5-chlorothiophen-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The canonical SMILES for 1-(5-chlorothiophen-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine is CC(NCCSC(F)(F)F)c1csc(Cl)c1.
What is the InChIKey of 1-(5-chlorothiophen-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The InChIKey is QEQVDOYAMYOERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3NS2/c1-6(7-4-8(10)15-5-7)14-2-3-16-9(11,12)13/h4-6,14H,2-3H2,1H3.
What are the key properties of 1-(5-chlorothiophen-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
1-(5-chlorothiophen-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine has a molecular weight of 289.78 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine is sourced from PubChem (CID 102976447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).