1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline

C13H13NS — CID 2793643

IUPAC1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESc1csc(C2NCCc3ccccc32)c1
InChIInChI=1S/C13H13NS/c1-2-5-11-10(4-1)7-8-14-13(11)12-6-3-9-15-12/h1-6,9,13-14H,7-8H2
InChIKeyFHDLSGWIMXIQQV-UHFFFAOYSA-N
MW215.32 g/mol
LogP2.98
Rot. Bonds1

About 1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline

1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 2793643) has the molecular formula C13H13NS and a molecular weight of 215.32 g/mol. Its IUPAC name is 1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline
PubChem CID2793643
Molecular FormulaC13H13NS
Molecular Weight215.32 g/mol
Exact Mass215.08
IUPAC Name1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESc1csc(C2NCCc3ccccc32)c1
InChIInChI=1S/C13H13NS/c1-2-5-11-10(4-1)7-8-14-13(11)12-6-3-9-15-12/h1-6,9,13-14H,7-8H2
InChIKeyFHDLSGWIMXIQQV-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline (CID 2793643) is 1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline is c1csc(C2NCCc3ccccc32)c1.
What is the InChIKey of 1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is FHDLSGWIMXIQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NS/c1-2-5-11-10(4-1)7-8-14-13(11)12-6-3-9-15-12/h1-6,9,13-14H,7-8H2.
What are the key properties of 1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline?
1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 215.32 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 2793643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).