(6S)-6-[1,1,2,2,2-pentadeuterioethyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol

C18H23NOS — CID 169439623

IUPAC(6S)-6-[1,1,2,2,2-pentadeuterioethyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILES[2H]C([2H])([2H])C([2H])([2H])N(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1
InChIInChI=1S/C18H23NOS/c1-2-19(11-10-16-6-4-12-21-16)15-8-9-17-14(13-15)5-3-7-18(17)20/h3-7,12,15,20H,2,8-11,13H2,1H3/t15-/m0/s1/i1D3,2D2
InChIKeyMGQHYAUEAZJTOP-MQRKACDYSA-N
MW306.49 g/mol
LogP3.88
Rot. Bonds6

About (6S)-6-[1,1,2,2,2-pentadeuterioethyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol

(6S)-6-[1,1,2,2,2-pentadeuterioethyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 169439623) has the molecular formula C18H23NOS and a molecular weight of 306.49 g/mol. Its IUPAC name is (6S)-6-[1,1,2,2,2-pentadeuterioethyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(6S)-6-[1,1,2,2,2-pentadeuterioethyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID169439623
Molecular FormulaC18H23NOS
Molecular Weight306.49 g/mol
Exact Mass306.18
IUPAC Name(6S)-6-[1,1,2,2,2-pentadeuterioethyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILES[2H]C([2H])([2H])C([2H])([2H])N(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1
InChIInChI=1S/C18H23NOS/c1-2-19(11-10-16-6-4-12-21-16)15-8-9-17-14(13-15)5-3-7-18(17)20/h3-7,12,15,20H,2,8-11,13H2,1H3/t15-/m0/s1/i1D3,2D2
InChIKeyMGQHYAUEAZJTOP-MQRKACDYSA-N
XLogP3.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

hydrogen phosphate;bis((6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol)
CID 50916842
5-methoxy-N-(2-thiophen-2-ylethyl)-N-(3,3,3-trideuteriopropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 71752120
hexadecanoyl chloride;(6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol;[(6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl] octadecanoate
CID 158128317
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 50917218
[6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl] benzoate
CID 118668198
[(6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl] 2-amino-2-hydroxyacetate
CID 146526991
[6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl] cyclohexanecarboxylate
CID 118668418
[6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl] dodecanoate
CID 118668160
6-(dibutylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide
CID 12581200
(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid;(6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol;[(6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
CID 158912436
6-[2-(4-hydroxyphenyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 14580578
(6S)-6-[7-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]heptyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 71459664

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[1,1,2,2,2-pentadeuterioethyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of (6S)-6-[1,1,2,2,2-pentadeuterioethyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol (CID 169439623) is (6S)-6-[1,1,2,2,2-pentadeuterioethyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (6S)-6-[1,1,2,2,2-pentadeuterioethyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for (6S)-6-[1,1,2,2,2-pentadeuterioethyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol is [2H]C([2H])([2H])C([2H])([2H])N(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1.
What is the InChIKey of (6S)-6-[1,1,2,2,2-pentadeuterioethyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is MGQHYAUEAZJTOP-MQRKACDYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-2-19(11-10-16-6-4-12-21-16)15-8-9-17-14(13-15)5-3-7-18(17)20/h3-7,12,15,20H,2,8-11,13H2,1H3/t15-/m0/s1/i1D3,2D2.
What are the key properties of (6S)-6-[1,1,2,2,2-pentadeuterioethyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
(6S)-6-[1,1,2,2,2-pentadeuterioethyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 306.49 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[1,1,2,2,2-pentadeuterioethyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 169439623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).