8-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol

C15H23NO2S — CID 106158830

IUPAC8-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCSC(CO)C(C)NC1CCCc2ccc(O)cc21
InChIInChI=1S/C15H23NO2S/c1-10(15(9-17)19-2)16-14-5-3-4-11-6-7-12(18)8-13(11)14/h6-8,10,14-18H,3-5,9H2,1-2H3
InChIKeyXIQUJLGLHKGLCK-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.47
Rot. Bonds5

About 8-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol

8-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 106158830) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 8-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name8-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID106158830
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name8-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCSC(CO)C(C)NC1CCCc2ccc(O)cc21
InChIInChI=1S/C15H23NO2S/c1-10(15(9-17)19-2)16-14-5-3-4-11-6-7-12(18)8-13(11)14/h6-8,10,14-18H,3-5,9H2,1-2H3
InChIKeyXIQUJLGLHKGLCK-UHFFFAOYSA-N
XLogP2.47
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 8-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol with MolForge

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Related Compounds

3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol
CID 103785190
8-[(1-hydroxy-3-methylbutan-2-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 114090991
8-(pent-4-en-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 114090967
8-(hydroxyamino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 103847281
8-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 106387893
2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propane-1,3-diol
CID 65310523
(2R)-2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 103894761
3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol
CID 103785152
2-methyl-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 113262002
8-[(4-hydroxy-2,2-dimethylbutyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 106143367
8-[(3,3-dimethylcyclobutyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 138043504
8-[[(E)-pent-3-enyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 114090966

Frequently Asked Questions

What is the IUPAC name of 8-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 8-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 106158830) is 8-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 8-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 8-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol is CSC(CO)C(C)NC1CCCc2ccc(O)cc21.
What is the InChIKey of 8-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is XIQUJLGLHKGLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-10(15(9-17)19-2)16-14-5-3-4-11-6-7-12(18)8-13(11)14/h6-8,10,14-18H,3-5,9H2,1-2H3.
What are the key properties of 8-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
8-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 281.42 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 106158830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).