5-[1-(2-ethylsulfanylanilino)ethyl]benzene-1,3-diol

C16H19NO2S — CID 107706134

IUPAC5-[1-(2-ethylsulfanylanilino)ethyl]benzene-1,3-diol
SMILESCCSc1ccccc1NC(C)c1cc(O)cc(O)c1
InChIInChI=1S/C16H19NO2S/c1-3-20-16-7-5-4-6-15(16)17-11(2)12-8-13(18)10-14(19)9-12/h4-11,17-19H,3H2,1-2H3
InChIKeyOJYGDWLXPUVCEC-UHFFFAOYSA-N
MW289.40 g/mol
LogP4.38
Rot. Bonds5

About 5-[1-(2-ethylsulfanylanilino)ethyl]benzene-1,3-diol

5-[1-(2-ethylsulfanylanilino)ethyl]benzene-1,3-diol (PubChem CID 107706134) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 5-[1-(2-ethylsulfanylanilino)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-(2-ethylsulfanylanilino)ethyl]benzene-1,3-diol
PubChem CID107706134
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name5-[1-(2-ethylsulfanylanilino)ethyl]benzene-1,3-diol
SMILESCCSc1ccccc1NC(C)c1cc(O)cc(O)c1
InChIInChI=1S/C16H19NO2S/c1-3-20-16-7-5-4-6-15(16)17-11(2)12-8-13(18)10-14(19)9-12/h4-11,17-19H,3H2,1-2H3
InChIKeyOJYGDWLXPUVCEC-UHFFFAOYSA-N
XLogP4.38
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(2-methylsulfanylanilino)ethyl]phenol
CID 43683440
5-[1-[2-(difluoromethoxy)anilino]ethyl]benzene-1,3-diol
CID 107705148
methyl 2-[1-(3,5-dihydroxyphenyl)ethylamino]benzoate
CID 107705419
N-[1-(2-ethoxyphenyl)ethyl]-2-ethylsulfanylaniline
CID 60935431
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylsulfanylaniline
CID 63752779
2-ethylsulfanyl-N-(1-ethylsulfonylpropan-2-yl)aniline
CID 115929080
5-[1-[3-bromo-2-(methoxymethyl)anilino]ethyl]benzene-1,3-diol
CID 107706265
N-(dicyclopropylmethyl)-2-ethylsulfanylaniline
CID 54865167
3-[1-(2-propylanilino)ethyl]phenol
CID 43687423
2-ethylsulfanyl-N-[1-(4-fluorophenyl)propyl]aniline
CID 63453355
2-ethylsulfanyl-N-(4-phenylbutan-2-yl)aniline
CID 63453526
N-[1-(4-fluorophenyl)ethyl]-2-methylsulfanylaniline
CID 43225069

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-ethylsulfanylanilino)ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-(2-ethylsulfanylanilino)ethyl]benzene-1,3-diol (CID 107706134) is 5-[1-(2-ethylsulfanylanilino)ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-(2-ethylsulfanylanilino)ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-(2-ethylsulfanylanilino)ethyl]benzene-1,3-diol is CCSc1ccccc1NC(C)c1cc(O)cc(O)c1.
What is the InChIKey of 5-[1-(2-ethylsulfanylanilino)ethyl]benzene-1,3-diol?
The InChIKey is OJYGDWLXPUVCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-3-20-16-7-5-4-6-15(16)17-11(2)12-8-13(18)10-14(19)9-12/h4-11,17-19H,3H2,1-2H3.
What are the key properties of 5-[1-(2-ethylsulfanylanilino)ethyl]benzene-1,3-diol?
5-[1-(2-ethylsulfanylanilino)ethyl]benzene-1,3-diol has a molecular weight of 289.40 g/mol, XLogP of 4.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-ethylsulfanylanilino)ethyl]benzene-1,3-diol is sourced from PubChem (CID 107706134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).