(1R)-1-thiophen-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine

C14H14F3NS2 — CID 29045722

IUPAC(1R)-1-thiophen-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
SMILESC[C@@H](NCc1ccc(SC(F)(F)F)cc1)c1cccs1
InChIInChI=1S/C14H14F3NS2/c1-10(13-3-2-8-19-13)18-9-11-4-6-12(7-5-11)20-14(15,16)17/h2-8,10,18H,9H2,1H3/t10-/m1/s1
InChIKeyWGVIFBYIYJNSPK-SNVBAGLBSA-N
MW317.40 g/mol
LogP5.21
Rot. Bonds5

About (1R)-1-thiophen-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine

(1R)-1-thiophen-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine (PubChem CID 29045722) has the molecular formula C14H14F3NS2 and a molecular weight of 317.40 g/mol. Its IUPAC name is (1R)-1-thiophen-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-thiophen-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
PubChem CID29045722
Molecular FormulaC14H14F3NS2
Molecular Weight317.40 g/mol
Exact Mass317.05
IUPAC Name(1R)-1-thiophen-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
SMILESC[C@@H](NCc1ccc(SC(F)(F)F)cc1)c1cccs1
InChIInChI=1S/C14H14F3NS2/c1-10(13-3-2-8-19-13)18-9-11-4-6-12(7-5-11)20-14(15,16)17/h2-8,10,18H,9H2,1H3/t10-/m1/s1
InChIKeyWGVIFBYIYJNSPK-SNVBAGLBSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.40
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-thiophen-2-ylethanamine
CID 43177509
N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylethanamine
CID 43178109
1-pyridin-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
CID 43082298
(1S)-N-[(3-fluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 28683392
1-thiophen-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 115710733
(1S)-1-thiophen-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104891288
(1S)-N-[(3,5-dimethylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398150
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 28683372
N-[(3-bromo-4-chlorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 83235526
(1R)-N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-thiophen-2-ylethanamine
CID 107342430
(1R)-1-thiophen-2-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 102675126
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621

Frequently Asked Questions

What is the IUPAC name of (1R)-1-thiophen-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine?
The IUPAC name of (1R)-1-thiophen-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine (CID 29045722) is (1R)-1-thiophen-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine.
What is the SMILES notation for (1R)-1-thiophen-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine?
The canonical SMILES for (1R)-1-thiophen-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine is C[C@@H](NCc1ccc(SC(F)(F)F)cc1)c1cccs1.
What is the InChIKey of (1R)-1-thiophen-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine?
The InChIKey is WGVIFBYIYJNSPK-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H14F3NS2/c1-10(13-3-2-8-19-13)18-9-11-4-6-12(7-5-11)20-14(15,16)17/h2-8,10,18H,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-thiophen-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine?
(1R)-1-thiophen-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine has a molecular weight of 317.40 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-thiophen-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 29045722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).