2-[(1R)-1-[(S)-2-(4-methoxyphenyl)ethylsulfinyl]ethyl]thiophene

C15H18O2S2 — CID 99795007

IUPAC2-[(1R)-1-[(S)-2-(4-methoxyphenyl)ethylsulfinyl]ethyl]thiophene
SMILESCOc1ccc(CC[S@](=O)[C@H](C)c2cccs2)cc1
InChIInChI=1S/C15H18O2S2/c1-12(15-4-3-10-18-15)19(16)11-9-13-5-7-14(17-2)8-6-13/h3-8,10,12H,9,11H2,1-2H3/t12-,19+/m1/s1
InChIKeyZXHYIAWSICHEBD-BLVKFPJESA-N
MW294.44 g/mol
LogP3.81
Rot. Bonds6

About 2-[(1R)-1-[(S)-2-(4-methoxyphenyl)ethylsulfinyl]ethyl]thiophene

2-[(1R)-1-[(S)-2-(4-methoxyphenyl)ethylsulfinyl]ethyl]thiophene (PubChem CID 99795007) has the molecular formula C15H18O2S2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-[(1R)-1-[(S)-2-(4-methoxyphenyl)ethylsulfinyl]ethyl]thiophene.

Molecular Properties

Compound Name2-[(1R)-1-[(S)-2-(4-methoxyphenyl)ethylsulfinyl]ethyl]thiophene
PubChem CID99795007
Molecular FormulaC15H18O2S2
Molecular Weight294.44 g/mol
Exact Mass294.07
IUPAC Name2-[(1R)-1-[(S)-2-(4-methoxyphenyl)ethylsulfinyl]ethyl]thiophene
SMILESCOc1ccc(CC[S@](=O)[C@H](C)c2cccs2)cc1
InChIInChI=1S/C15H18O2S2/c1-12(15-4-3-10-18-15)19(16)11-9-13-5-7-14(17-2)8-6-13/h3-8,10,12H,9,11H2,1-2H3/t12-,19+/m1/s1
InChIKeyZXHYIAWSICHEBD-BLVKFPJESA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 134794915
N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylethanamine
CID 43178109
3-[2-(4-methoxyphenyl)ethylsulfinyl]butanoic acid
CID 66115946
N-[2-(4-methoxyphenyl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 43093641
N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-(4-methoxyphenyl)propanamide
CID 95967214
1-(4-methoxyphenyl)-2-thiophen-2-ylpentan-3-one
CID 142647578
3-(4-methoxyphenyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide
CID 8854024
(4-methoxyphenyl)methyl 3-hydroxy-2-thiophen-2-ylpropanoate
CID 68960165
2-[(1R)-1-[(R)-[4-methoxy-3-(trifluoromethylsulfanyl)phenyl]methylsulfinyl]ethyl]thiophene
CID 97318544
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111792794
1-[(4-methoxyphenyl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]thiourea
CID 8725605
N-ethyl-2-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 78825986

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[(S)-2-(4-methoxyphenyl)ethylsulfinyl]ethyl]thiophene?
The IUPAC name of 2-[(1R)-1-[(S)-2-(4-methoxyphenyl)ethylsulfinyl]ethyl]thiophene (CID 99795007) is 2-[(1R)-1-[(S)-2-(4-methoxyphenyl)ethylsulfinyl]ethyl]thiophene.
What is the SMILES notation for 2-[(1R)-1-[(S)-2-(4-methoxyphenyl)ethylsulfinyl]ethyl]thiophene?
The canonical SMILES for 2-[(1R)-1-[(S)-2-(4-methoxyphenyl)ethylsulfinyl]ethyl]thiophene is COc1ccc(CC[S@](=O)[C@H](C)c2cccs2)cc1.
What is the InChIKey of 2-[(1R)-1-[(S)-2-(4-methoxyphenyl)ethylsulfinyl]ethyl]thiophene?
The InChIKey is ZXHYIAWSICHEBD-BLVKFPJESA-N. The full InChI is InChI=1S/C15H18O2S2/c1-12(15-4-3-10-18-15)19(16)11-9-13-5-7-14(17-2)8-6-13/h3-8,10,12H,9,11H2,1-2H3/t12-,19+/m1/s1.
What are the key properties of 2-[(1R)-1-[(S)-2-(4-methoxyphenyl)ethylsulfinyl]ethyl]thiophene?
2-[(1R)-1-[(S)-2-(4-methoxyphenyl)ethylsulfinyl]ethyl]thiophene has a molecular weight of 294.44 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[(S)-2-(4-methoxyphenyl)ethylsulfinyl]ethyl]thiophene is sourced from PubChem (CID 99795007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).