1-[(S)-thiophen-3-yl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine

C16H17F3N2S2 — CID 171176572

IUPAC1-[(S)-thiophen-3-yl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine
SMILESFC(F)(F)Sc1ccc([C@@H](c2ccsc2)N2CCNCC2)cc1
InChIInChI=1S/C16H17F3N2S2/c17-16(18,19)23-14-3-1-12(2-4-14)15(13-5-10-22-11-13)21-8-6-20-7-9-21/h1-5,10-11,15,20H,6-9H2/t15-/m0/s1
InChIKeyLKUALSRJNNGCSE-HNNXBMFYSA-N
MW358.45 g/mol
LogP4.35
Rot. Bonds4

About 1-[(S)-thiophen-3-yl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine

1-[(S)-thiophen-3-yl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine (PubChem CID 171176572) has the molecular formula C16H17F3N2S2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-[(S)-thiophen-3-yl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(S)-thiophen-3-yl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine
PubChem CID171176572
Molecular FormulaC16H17F3N2S2
Molecular Weight358.45 g/mol
Exact Mass358.08
IUPAC Name1-[(S)-thiophen-3-yl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine
SMILESFC(F)(F)Sc1ccc([C@@H](c2ccsc2)N2CCNCC2)cc1
InChIInChI=1S/C16H17F3N2S2/c17-16(18,19)23-14-3-1-12(2-4-14)15(13-5-10-22-11-13)21-8-6-20-7-9-21/h1-5,10-11,15,20H,6-9H2/t15-/m0/s1
InChIKeyLKUALSRJNNGCSE-HNNXBMFYSA-N
XLogP4.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(R)-thiophen-3-yl-[2-(trifluoromethylsulfanyl)phenyl]methyl]piperazine
CID 171177575
1-[(S)-thiophen-2-yl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine;dihydrochloride
CID 171291625
1-[(R)-thiophen-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171180039
1-[(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]piperazine
CID 171180508
1-[(R)-(3,5-difluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171179419
1-[(R)-thiophen-3-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171179883
1-[(R)-(2,6-difluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171179292
1-[(1R)-2-fluoro-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]piperazine
CID 171182558
1-[(1S)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]piperazine;hydrochloride
CID 171165322
1-[(S)-thiophen-3-yl-[3-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171177341
1-[(S)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]piperazine
CID 171177949
2-fluoro-4-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171178362

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-thiophen-3-yl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[(S)-thiophen-3-yl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine (CID 171176572) is 1-[(S)-thiophen-3-yl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[(S)-thiophen-3-yl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[(S)-thiophen-3-yl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine is FC(F)(F)Sc1ccc([C@@H](c2ccsc2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(S)-thiophen-3-yl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine?
The InChIKey is LKUALSRJNNGCSE-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17F3N2S2/c17-16(18,19)23-14-3-1-12(2-4-14)15(13-5-10-22-11-13)21-8-6-20-7-9-21/h1-5,10-11,15,20H,6-9H2/t15-/m0/s1.
What are the key properties of 1-[(S)-thiophen-3-yl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine?
1-[(S)-thiophen-3-yl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine has a molecular weight of 358.45 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-thiophen-3-yl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine is sourced from PubChem (CID 171176572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).