(1R)-1-(2-methylthiophen-3-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride

C14H16ClNS — CID 168869352

IUPAC(1R)-1-(2-methylthiophen-3-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCc1sccc1[C@@H]1NCCc2ccccc21.Cl
InChIInChI=1S/C14H15NS.ClH/c1-10-12(7-9-16-10)14-13-5-3-2-4-11(13)6-8-15-14;/h2-5,7,9,14-15H,6,8H2,1H3;1H/t14-;/m0./s1
InChIKeyNOQXNELCRCZWCU-UQKRIMTDSA-N
MW265.81 g/mol
LogP3.71
Rot. Bonds1

About (1R)-1-(2-methylthiophen-3-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride

(1R)-1-(2-methylthiophen-3-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride (PubChem CID 168869352) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is (1R)-1-(2-methylthiophen-3-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2-methylthiophen-3-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
PubChem CID168869352
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC Name(1R)-1-(2-methylthiophen-3-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCc1sccc1[C@@H]1NCCc2ccccc21.Cl
InChIInChI=1S/C14H15NS.ClH/c1-10-12(7-9-16-10)14-13-5-3-2-4-11(13)6-8-15-14;/h2-5,7,9,14-15H,6,8H2,1H3;1H/t14-;/m0./s1
InChIKeyNOQXNELCRCZWCU-UQKRIMTDSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-methylthiophen-3-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The IUPAC name of (1R)-1-(2-methylthiophen-3-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride (CID 168869352) is (1R)-1-(2-methylthiophen-3-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride.
What is the SMILES notation for (1R)-1-(2-methylthiophen-3-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The canonical SMILES for (1R)-1-(2-methylthiophen-3-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride is Cc1sccc1[C@@H]1NCCc2ccccc21.Cl.
What is the InChIKey of (1R)-1-(2-methylthiophen-3-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The InChIKey is NOQXNELCRCZWCU-UQKRIMTDSA-N. The full InChI is InChI=1S/C14H15NS.ClH/c1-10-12(7-9-16-10)14-13-5-3-2-4-11(13)6-8-15-14;/h2-5,7,9,14-15H,6,8H2,1H3;1H/t14-;/m0./s1.
What are the key properties of (1R)-1-(2-methylthiophen-3-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
(1R)-1-(2-methylthiophen-3-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride has a molecular weight of 265.81 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-methylthiophen-3-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride is sourced from PubChem (CID 168869352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).