ethyl 2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetate

C15H20O3S — CID 125464098

IUPACethyl 2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetate
SMILESCCOC(=O)CS[C@@H]1CCCc2c(OC)cccc21
InChIInChI=1S/C15H20O3S/c1-3-18-15(16)10-19-14-9-5-6-11-12(14)7-4-8-13(11)17-2/h4,7-8,14H,3,5-6,9-10H2,1-2H3/t14-/m1/s1
InChIKeyAMYIMDLFFQTYLT-CQSZACIVSA-N
MW280.39 g/mol
LogP3.37
Rot. Bonds5

About ethyl 2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetate

ethyl 2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetate (PubChem CID 125464098) has the molecular formula C15H20O3S and a molecular weight of 280.39 g/mol. Its IUPAC name is ethyl 2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetate.

Molecular Properties

Compound Nameethyl 2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetate
PubChem CID125464098
Molecular FormulaC15H20O3S
Molecular Weight280.39 g/mol
Exact Mass280.11
IUPAC Nameethyl 2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetate
SMILESCCOC(=O)CS[C@@H]1CCCc2c(OC)cccc21
InChIInChI=1S/C15H20O3S/c1-3-18-15(16)10-19-14-9-5-6-11-12(14)7-4-8-13(11)17-2/h4,7-8,14H,3,5-6,9-10H2,1-2H3/t14-/m1/s1
InChIKeyAMYIMDLFFQTYLT-CQSZACIVSA-N
XLogP3.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetate 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

[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
CID 10535755
5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 70349932
ethyl 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetate
CID 86641632
ethyl 2-(2-cyclopentyl-3-methoxyphenyl)acetate
CID 142671917
1-[4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazin-1-yl]ethanone
CID 10830296
ethyl 2-[(1-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)sulfanyl]acetate
CID 79248246
5-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057140
ethyl 2-(3-oxocyclohexyl)sulfanylacetate
CID 64715245
3-chloro-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 10611920
ethyl 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]pentanoate
CID 83040077
1-(6-methoxy-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-3-yl)propan-1-one
CID 19021486
ethyl 2-[(3R)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetate
CID 51568510

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetate?
The IUPAC name of ethyl 2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetate (CID 125464098) is ethyl 2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetate.
What is the SMILES notation for ethyl 2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetate?
The canonical SMILES for ethyl 2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetate is CCOC(=O)CS[C@@H]1CCCc2c(OC)cccc21.
What is the InChIKey of ethyl 2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetate?
The InChIKey is AMYIMDLFFQTYLT-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20O3S/c1-3-18-15(16)10-19-14-9-5-6-11-12(14)7-4-8-13(11)17-2/h4,7-8,14H,3,5-6,9-10H2,1-2H3/t14-/m1/s1.
What are the key properties of ethyl 2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetate?
ethyl 2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetate has a molecular weight of 280.39 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetate is sourced from PubChem (CID 125464098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).