(4S)-4-(1-benzothiophen-6-yl)-1,2,3,4-tetrahydroisoquinoline

C17H15NS — CID 129394155

IUPAC(4S)-4-(1-benzothiophen-6-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CNC[C@H]2c1ccc2ccsc2c1
InChIInChI=1S/C17H15NS/c1-2-4-15-14(3-1)10-18-11-16(15)13-6-5-12-7-8-19-17(12)9-13/h1-9,16,18H,10-11H2/t16-/m0/s1
InChIKeyQZJUQSYGLXPXEE-INIZCTEOSA-N
MW265.38 g/mol
LogP4.14
Rot. Bonds1

About (4S)-4-(1-benzothiophen-6-yl)-1,2,3,4-tetrahydroisoquinoline

(4S)-4-(1-benzothiophen-6-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 129394155) has the molecular formula C17H15NS and a molecular weight of 265.38 g/mol. Its IUPAC name is (4S)-4-(1-benzothiophen-6-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(4S)-4-(1-benzothiophen-6-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID129394155
Molecular FormulaC17H15NS
Molecular Weight265.38 g/mol
Exact Mass265.09
IUPAC Name(4S)-4-(1-benzothiophen-6-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CNC[C@H]2c1ccc2ccsc2c1
InChIInChI=1S/C17H15NS/c1-2-4-15-14(3-1)10-18-11-16(15)13-6-5-12-7-8-19-17(12)9-13/h1-9,16,18H,10-11H2/t16-/m0/s1
InChIKeyQZJUQSYGLXPXEE-INIZCTEOSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(1-benzothiophen-6-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (4S)-4-(1-benzothiophen-6-yl)-1,2,3,4-tetrahydroisoquinoline (CID 129394155) is (4S)-4-(1-benzothiophen-6-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (4S)-4-(1-benzothiophen-6-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (4S)-4-(1-benzothiophen-6-yl)-1,2,3,4-tetrahydroisoquinoline is c1ccc2c(c1)CNC[C@H]2c1ccc2ccsc2c1.
What is the InChIKey of (4S)-4-(1-benzothiophen-6-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is QZJUQSYGLXPXEE-INIZCTEOSA-N. The full InChI is InChI=1S/C17H15NS/c1-2-4-15-14(3-1)10-18-11-16(15)13-6-5-12-7-8-19-17(12)9-13/h1-9,16,18H,10-11H2/t16-/m0/s1.
What are the key properties of (4S)-4-(1-benzothiophen-6-yl)-1,2,3,4-tetrahydroisoquinoline?
(4S)-4-(1-benzothiophen-6-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 265.38 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(1-benzothiophen-6-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 129394155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).