methyl 2-[[1-(ethylamino)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]acetate

C16H23NO3S — CID 79236632

IUPACmethyl 2-[[1-(ethylamino)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]acetate
SMILESCCNC1c2cc(OC)ccc2CCC1SCC(=O)OC
InChIInChI=1S/C16H23NO3S/c1-4-17-16-13-9-12(19-2)7-5-11(13)6-8-14(16)21-10-15(18)20-3/h5,7,9,14,16-17H,4,6,8,10H2,1-3H3
InChIKeyWUICYEGQYZOUGV-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.57
Rot. Bonds6

About methyl 2-[[1-(ethylamino)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]acetate

methyl 2-[[1-(ethylamino)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]acetate (PubChem CID 79236632) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is methyl 2-[[1-(ethylamino)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-(ethylamino)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]acetate
PubChem CID79236632
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Namemethyl 2-[[1-(ethylamino)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]acetate
SMILESCCNC1c2cc(OC)ccc2CCC1SCC(=O)OC
InChIInChI=1S/C16H23NO3S/c1-4-17-16-13-9-12(19-2)7-5-11(13)6-8-14(16)21-10-15(18)20-3/h5,7,9,14,16-17H,4,6,8,10H2,1-3H3
InChIKeyWUICYEGQYZOUGV-UHFFFAOYSA-N
XLogP2.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[1-(ethylamino)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]acetate with MolForge

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Related Compounds

3-[[1-(ethylamino)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]-2-methylpropan-1-ol
CID 79237319
ethyl 2-[(1-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)sulfanyl]acetate
CID 79248246
[1-(ethylamino)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
CID 79248721
N-ethyl-6-methoxy-2-propylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64614896
N-ethyl-2-ethylsulfanyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79368198
N-ethyl-7-methoxy-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106927379
2-[(1-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)sulfanyl]acetamide
CID 114231486
3-[[1-(ethylamino)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propane-1,2-diol
CID 79670718
N-ethyl-6-methoxy-2-(3-methylbutan-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107763324
methyl 2-[[4-(ethylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]acetate
CID 64615419
7-methoxy-N-methyl-2-(2-methylbutylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107763687
methyl 3-[[6-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propanoate
CID 64615409

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(ethylamino)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]acetate?
The IUPAC name of methyl 2-[[1-(ethylamino)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]acetate (CID 79236632) is methyl 2-[[1-(ethylamino)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]acetate.
What is the SMILES notation for methyl 2-[[1-(ethylamino)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]acetate?
The canonical SMILES for methyl 2-[[1-(ethylamino)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]acetate is CCNC1c2cc(OC)ccc2CCC1SCC(=O)OC.
What is the InChIKey of methyl 2-[[1-(ethylamino)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]acetate?
The InChIKey is WUICYEGQYZOUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-4-17-16-13-9-12(19-2)7-5-11(13)6-8-14(16)21-10-15(18)20-3/h5,7,9,14,16-17H,4,6,8,10H2,1-3H3.
What are the key properties of methyl 2-[[1-(ethylamino)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]acetate?
methyl 2-[[1-(ethylamino)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]acetate has a molecular weight of 309.43 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(ethylamino)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]acetate is sourced from PubChem (CID 79236632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).