1,2,3,4-tetrahydro-[1]benzothiolo[2,3-h]isoquinoline;hydrochloride

C15H14ClNS — CID 45263922

IUPAC1,2,3,4-tetrahydro-[1]benzothiolo[2,3-h]isoquinoline;hydrochloride
SMILESCl.c1ccc2c(c1)sc1ccc3c(c12)CNCC3
InChIInChI=1S/C15H13NS.ClH/c1-2-4-13-11(3-1)15-12-9-16-8-7-10(12)5-6-14(15)17-13;/h1-6,16H,7-9H2;1H
InChIKeyINQRIQMDQBLTKZ-UHFFFAOYSA-N
MW275.80 g/mol
LogP4.12
Rot. Bonds

About 1,2,3,4-tetrahydro-[1]benzothiolo[2,3-h]isoquinoline;hydrochloride

1,2,3,4-tetrahydro-[1]benzothiolo[2,3-h]isoquinoline;hydrochloride (PubChem CID 45263922) has the molecular formula C15H14ClNS and a molecular weight of 275.80 g/mol. Its IUPAC name is 1,2,3,4-tetrahydro-[1]benzothiolo[2,3-h]isoquinoline;hydrochloride.

Molecular Properties

Compound Name1,2,3,4-tetrahydro-[1]benzothiolo[2,3-h]isoquinoline;hydrochloride
PubChem CID45263922
Molecular FormulaC15H14ClNS
Molecular Weight275.80 g/mol
Exact Mass275.05
IUPAC Name1,2,3,4-tetrahydro-[1]benzothiolo[2,3-h]isoquinoline;hydrochloride
SMILESCl.c1ccc2c(c1)sc1ccc3c(c12)CNCC3
InChIInChI=1S/C15H13NS.ClH/c1-2-4-13-11(3-1)15-12-9-16-8-7-10(12)5-6-14(15)17-13;/h1-6,16H,7-9H2;1H
InChIKeyINQRIQMDQBLTKZ-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.80
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,2,3,4-tetrahydro-[1]benzothiolo[2,3-h]isoquinoline;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydro-[1]benzothiolo[2,3-h]isoquinoline;hydrochloride?
The IUPAC name of 1,2,3,4-tetrahydro-[1]benzothiolo[2,3-h]isoquinoline;hydrochloride (CID 45263922) is 1,2,3,4-tetrahydro-[1]benzothiolo[2,3-h]isoquinoline;hydrochloride.
What is the SMILES notation for 1,2,3,4-tetrahydro-[1]benzothiolo[2,3-h]isoquinoline;hydrochloride?
The canonical SMILES for 1,2,3,4-tetrahydro-[1]benzothiolo[2,3-h]isoquinoline;hydrochloride is Cl.c1ccc2c(c1)sc1ccc3c(c12)CNCC3.
What is the InChIKey of 1,2,3,4-tetrahydro-[1]benzothiolo[2,3-h]isoquinoline;hydrochloride?
The InChIKey is INQRIQMDQBLTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NS.ClH/c1-2-4-13-11(3-1)15-12-9-16-8-7-10(12)5-6-14(15)17-13;/h1-6,16H,7-9H2;1H.
What are the key properties of 1,2,3,4-tetrahydro-[1]benzothiolo[2,3-h]isoquinoline;hydrochloride?
1,2,3,4-tetrahydro-[1]benzothiolo[2,3-h]isoquinoline;hydrochloride has a molecular weight of 275.80 g/mol, XLogP of 4.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydro-[1]benzothiolo[2,3-h]isoquinoline;hydrochloride is sourced from PubChem (CID 45263922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).