2-[(1R)-1-[(R)-[4-methoxy-3-(trifluoromethylsulfanyl)phenyl]methylsulfinyl]ethyl]thiophene

C15H15F3O2S3 — CID 97318544

IUPAC2-[(1R)-1-[(R)-[4-methoxy-3-(trifluoromethylsulfanyl)phenyl]methylsulfinyl]ethyl]thiophene
SMILESCOc1ccc(C[S@@](=O)[C@H](C)c2cccs2)cc1SC(F)(F)F
InChIInChI=1S/C15H15F3O2S3/c1-10(13-4-3-7-21-13)23(19)9-11-5-6-12(20-2)14(8-11)22-15(16,17)18/h3-8,10H,9H2,1-2H3/t10-,23-/m1/s1
InChIKeyOKNWIZHOQRDXDU-DJNLSKAYSA-N
MW380.48 g/mol
LogP5.38
Rot. Bonds6

About 2-[(1R)-1-[(R)-[4-methoxy-3-(trifluoromethylsulfanyl)phenyl]methylsulfinyl]ethyl]thiophene

2-[(1R)-1-[(R)-[4-methoxy-3-(trifluoromethylsulfanyl)phenyl]methylsulfinyl]ethyl]thiophene (PubChem CID 97318544) has the molecular formula C15H15F3O2S3 and a molecular weight of 380.48 g/mol. Its IUPAC name is 2-[(1R)-1-[(R)-[4-methoxy-3-(trifluoromethylsulfanyl)phenyl]methylsulfinyl]ethyl]thiophene.

Molecular Properties

Compound Name2-[(1R)-1-[(R)-[4-methoxy-3-(trifluoromethylsulfanyl)phenyl]methylsulfinyl]ethyl]thiophene
PubChem CID97318544
Molecular FormulaC15H15F3O2S3
Molecular Weight380.48 g/mol
Exact Mass380.02
IUPAC Name2-[(1R)-1-[(R)-[4-methoxy-3-(trifluoromethylsulfanyl)phenyl]methylsulfinyl]ethyl]thiophene
SMILESCOc1ccc(C[S@@](=O)[C@H](C)c2cccs2)cc1SC(F)(F)F
InChIInChI=1S/C15H15F3O2S3/c1-10(13-4-3-7-21-13)23(19)9-11-5-6-12(20-2)14(8-11)22-15(16,17)18/h3-8,10H,9H2,1-2H3/t10-,23-/m1/s1
InChIKeyOKNWIZHOQRDXDU-DJNLSKAYSA-N
XLogP5.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.48
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(1R)-1-[(R)-[4-methoxy-3-(trifluoromethylsulfanyl)phenyl]methylsulfinyl]ethyl]thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1R)-1-[(S)-2-(4-methoxyphenyl)ethylsulfinyl]ethyl]thiophene
CID 99795007
4-[[(R)-[(1R)-1-thiophen-2-ylethyl]sulfinyl]methyl]benzonitrile
CID 97021415
3-[[4-methoxy-3-(trifluoromethylsulfanyl)phenyl]methyl-methylamino]-2-methylpropanoic acid
CID 122120254
2-[1-bromo-2-(3,4-dimethoxyphenyl)ethyl]thiophene
CID 61097509
(1R)-1-thiophen-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
CID 29045722
(2R)-N-hydroxy-1-[[4-methoxy-3-(trifluoromethylsulfanyl)phenyl]methyl]azetidine-2-carboxamide
CID 10337074
2-methoxy-5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzoic acid
CID 65339650
3-(3-hydroxy-4-methoxyphenyl)-2-thiophen-2-ylpropanoic acid
CID 22681173
2-[(3-bromo-4-methoxyphenyl)methylsulfinyl]propanoic acid
CID 54970697
N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-thiophen-2-ylpropan-1-amine
CID 119110315
3-[(3-bromo-4-methoxyphenyl)methylsulfinyl]butan-1-amine
CID 81194050
2-methoxy-5-(3-methylbutan-2-ylsulfinylmethyl)benzonitrile
CID 103825955

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[(R)-[4-methoxy-3-(trifluoromethylsulfanyl)phenyl]methylsulfinyl]ethyl]thiophene?
The IUPAC name of 2-[(1R)-1-[(R)-[4-methoxy-3-(trifluoromethylsulfanyl)phenyl]methylsulfinyl]ethyl]thiophene (CID 97318544) is 2-[(1R)-1-[(R)-[4-methoxy-3-(trifluoromethylsulfanyl)phenyl]methylsulfinyl]ethyl]thiophene.
What is the SMILES notation for 2-[(1R)-1-[(R)-[4-methoxy-3-(trifluoromethylsulfanyl)phenyl]methylsulfinyl]ethyl]thiophene?
The canonical SMILES for 2-[(1R)-1-[(R)-[4-methoxy-3-(trifluoromethylsulfanyl)phenyl]methylsulfinyl]ethyl]thiophene is COc1ccc(C[S@@](=O)[C@H](C)c2cccs2)cc1SC(F)(F)F.
What is the InChIKey of 2-[(1R)-1-[(R)-[4-methoxy-3-(trifluoromethylsulfanyl)phenyl]methylsulfinyl]ethyl]thiophene?
The InChIKey is OKNWIZHOQRDXDU-DJNLSKAYSA-N. The full InChI is InChI=1S/C15H15F3O2S3/c1-10(13-4-3-7-21-13)23(19)9-11-5-6-12(20-2)14(8-11)22-15(16,17)18/h3-8,10H,9H2,1-2H3/t10-,23-/m1/s1.
What are the key properties of 2-[(1R)-1-[(R)-[4-methoxy-3-(trifluoromethylsulfanyl)phenyl]methylsulfinyl]ethyl]thiophene?
2-[(1R)-1-[(R)-[4-methoxy-3-(trifluoromethylsulfanyl)phenyl]methylsulfinyl]ethyl]thiophene has a molecular weight of 380.48 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[(R)-[4-methoxy-3-(trifluoromethylsulfanyl)phenyl]methylsulfinyl]ethyl]thiophene is sourced from PubChem (CID 97318544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).