3-[[1-(ethylamino)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propane-1,2-diol

C16H25NO3S — CID 79670718

IUPAC3-[[1-(ethylamino)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propane-1,2-diol
SMILESCCNC1c2ccc(OC)cc2CCC1SCC(O)CO
InChIInChI=1S/C16H25NO3S/c1-3-17-16-14-6-5-13(20-2)8-11(14)4-7-15(16)21-10-12(19)9-18/h5-6,8,12,15-19H,3-4,7,9-10H2,1-2H3
InChIKeyQDIDCWNRGBZLSS-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.75
Rot. Bonds7

About 3-[[1-(ethylamino)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propane-1,2-diol

3-[[1-(ethylamino)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propane-1,2-diol (PubChem CID 79670718) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-[[1-(ethylamino)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propane-1,2-diol.

Molecular Properties

Compound Name3-[[1-(ethylamino)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propane-1,2-diol
PubChem CID79670718
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name3-[[1-(ethylamino)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propane-1,2-diol
SMILESCCNC1c2ccc(OC)cc2CCC1SCC(O)CO
InChIInChI=1S/C16H25NO3S/c1-3-17-16-14-6-5-13(20-2)8-11(14)4-7-15(16)21-10-12(19)9-18/h5-6,8,12,15-19H,3-4,7,9-10H2,1-2H3
InChIKeyQDIDCWNRGBZLSS-UHFFFAOYSA-N
XLogP1.75
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[1-(ethylamino)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propane-1,2-diol with MolForge

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Related Compounds

N-ethyl-6-methoxy-2-propylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64614896
3-[[1-(ethylamino)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]-2-methylpropan-1-ol
CID 79237319
N-ethyl-6-methoxy-2-(3-methylbutan-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107763324
[1-(ethylamino)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
CID 64812391
methyl 2-[[1-(ethylamino)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]acetate
CID 79236632
3-[[6-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol
CID 66127727
N-ethyl-6-methoxy-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106927231
methyl 3-[[6-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propanoate
CID 64615409
[6-methoxy-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
CID 64814688
N-ethyl-6-methoxy-2-(2-methylbutylsulfanyl)-2,3-dihydro-1H-inden-1-amine
CID 107763601
[1-(ethylamino)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
CID 79248721
7-methoxy-N-methyl-2-(2-methylbutylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107763687

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(ethylamino)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propane-1,2-diol?
The IUPAC name of 3-[[1-(ethylamino)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propane-1,2-diol (CID 79670718) is 3-[[1-(ethylamino)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propane-1,2-diol.
What is the SMILES notation for 3-[[1-(ethylamino)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propane-1,2-diol?
The canonical SMILES for 3-[[1-(ethylamino)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propane-1,2-diol is CCNC1c2ccc(OC)cc2CCC1SCC(O)CO.
What is the InChIKey of 3-[[1-(ethylamino)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propane-1,2-diol?
The InChIKey is QDIDCWNRGBZLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-3-17-16-14-6-5-13(20-2)8-11(14)4-7-15(16)21-10-12(19)9-18/h5-6,8,12,15-19H,3-4,7,9-10H2,1-2H3.
What are the key properties of 3-[[1-(ethylamino)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propane-1,2-diol?
3-[[1-(ethylamino)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propane-1,2-diol has a molecular weight of 311.45 g/mol, XLogP of 1.75, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(ethylamino)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propane-1,2-diol is sourced from PubChem (CID 79670718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).