(6S)-6-(2-thiophen-2-ylpentylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride

C19H26ClNOS — CID 67425102

IUPAC(6S)-6-(2-thiophen-2-ylpentylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride
SMILESCCCC(CN[C@H]1CCc2c(O)cccc2C1)c1cccs1.Cl
InChIInChI=1S/C19H25NOS.ClH/c1-2-5-15(19-8-4-11-22-19)13-20-16-9-10-17-14(12-16)6-3-7-18(17)21;/h3-4,6-8,11,15-16,20-21H,2,5,9-10,12-13H2,1H3;1H/t15?,16-;/m0./s1
InChIKeyHUPNVCVCPUEKKH-UFUZRDLVSA-N
MW351.94 g/mol
LogP4.91
Rot. Bonds6

About (6S)-6-(2-thiophen-2-ylpentylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride

(6S)-6-(2-thiophen-2-ylpentylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride (PubChem CID 67425102) has the molecular formula C19H26ClNOS and a molecular weight of 351.94 g/mol. Its IUPAC name is (6S)-6-(2-thiophen-2-ylpentylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride.

Molecular Properties

Compound Name(6S)-6-(2-thiophen-2-ylpentylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride
PubChem CID67425102
Molecular FormulaC19H26ClNOS
Molecular Weight351.94 g/mol
Exact Mass351.14
IUPAC Name(6S)-6-(2-thiophen-2-ylpentylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride
SMILESCCCC(CN[C@H]1CCc2c(O)cccc2C1)c1cccs1.Cl
InChIInChI=1S/C19H25NOS.ClH/c1-2-5-15(19-8-4-11-22-19)13-20-16-9-10-17-14(12-16)6-3-7-18(17)21;/h3-4,6-8,11,15-16,20-21H,2,5,9-10,12-13H2,1H3;1H/t15?,16-;/m0./s1
InChIKeyHUPNVCVCPUEKKH-UFUZRDLVSA-N
XLogP4.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.94
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-(2-thiophen-2-ylpentylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride?
The IUPAC name of (6S)-6-(2-thiophen-2-ylpentylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride (CID 67425102) is (6S)-6-(2-thiophen-2-ylpentylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride.
What is the SMILES notation for (6S)-6-(2-thiophen-2-ylpentylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride?
The canonical SMILES for (6S)-6-(2-thiophen-2-ylpentylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride is CCCC(CN[C@H]1CCc2c(O)cccc2C1)c1cccs1.Cl.
What is the InChIKey of (6S)-6-(2-thiophen-2-ylpentylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride?
The InChIKey is HUPNVCVCPUEKKH-UFUZRDLVSA-N. The full InChI is InChI=1S/C19H25NOS.ClH/c1-2-5-15(19-8-4-11-22-19)13-20-16-9-10-17-14(12-16)6-3-7-18(17)21;/h3-4,6-8,11,15-16,20-21H,2,5,9-10,12-13H2,1H3;1H/t15?,16-;/m0./s1.
What are the key properties of (6S)-6-(2-thiophen-2-ylpentylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride?
(6S)-6-(2-thiophen-2-ylpentylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride has a molecular weight of 351.94 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(2-thiophen-2-ylpentylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride is sourced from PubChem (CID 67425102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).