spiro[1,2-dihydroisoindole-3,4'-6,7-dihydro-5H-1-benzothiophene];hydrochloride

C15H16ClNS — CID 45262590

IUPACspiro[1,2-dihydroisoindole-3,4'-6,7-dihydro-5H-1-benzothiophene];hydrochloride
SMILESCl.c1ccc2c(c1)CNC21CCCc2sccc21
InChIInChI=1S/C15H15NS.ClH/c1-2-5-12-11(4-1)10-16-15(12)8-3-6-14-13(15)7-9-17-14;/h1-2,4-5,7,9,16H,3,6,8,10H2;1H
InChIKeySISKZFJNNMEUEO-UHFFFAOYSA-N
MW277.82 g/mol
LogP3.85
Rot. Bonds

About spiro[1,2-dihydroisoindole-3,4'-6,7-dihydro-5H-1-benzothiophene];hydrochloride

spiro[1,2-dihydroisoindole-3,4'-6,7-dihydro-5H-1-benzothiophene];hydrochloride (PubChem CID 45262590) has the molecular formula C15H16ClNS and a molecular weight of 277.82 g/mol. Its IUPAC name is spiro[1,2-dihydroisoindole-3,4'-6,7-dihydro-5H-1-benzothiophene];hydrochloride.

Molecular Properties

Compound Namespiro[1,2-dihydroisoindole-3,4'-6,7-dihydro-5H-1-benzothiophene];hydrochloride
PubChem CID45262590
Molecular FormulaC15H16ClNS
Molecular Weight277.82 g/mol
Exact Mass277.07
IUPAC Namespiro[1,2-dihydroisoindole-3,4'-6,7-dihydro-5H-1-benzothiophene];hydrochloride
SMILESCl.c1ccc2c(c1)CNC21CCCc2sccc21
InChIInChI=1S/C15H15NS.ClH/c1-2-5-12-11(4-1)10-16-15(12)8-3-6-14-13(15)7-9-17-14;/h1-2,4-5,7,9,16H,3,6,8,10H2;1H
InChIKeySISKZFJNNMEUEO-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.82
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze spiro[1,2-dihydroisoindole-3,4'-6,7-dihydro-5H-1-benzothiophene];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 spiro[1,2-dihydroisoindole-3,4'-6,7-dihydro-5H-1-benzothiophene];hydrochloride?
The IUPAC name of spiro[1,2-dihydroisoindole-3,4'-6,7-dihydro-5H-1-benzothiophene];hydrochloride (CID 45262590) is spiro[1,2-dihydroisoindole-3,4'-6,7-dihydro-5H-1-benzothiophene];hydrochloride.
What is the SMILES notation for spiro[1,2-dihydroisoindole-3,4'-6,7-dihydro-5H-1-benzothiophene];hydrochloride?
The canonical SMILES for spiro[1,2-dihydroisoindole-3,4'-6,7-dihydro-5H-1-benzothiophene];hydrochloride is Cl.c1ccc2c(c1)CNC21CCCc2sccc21.
What is the InChIKey of spiro[1,2-dihydroisoindole-3,4'-6,7-dihydro-5H-1-benzothiophene];hydrochloride?
The InChIKey is SISKZFJNNMEUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NS.ClH/c1-2-5-12-11(4-1)10-16-15(12)8-3-6-14-13(15)7-9-17-14;/h1-2,4-5,7,9,16H,3,6,8,10H2;1H.
What are the key properties of spiro[1,2-dihydroisoindole-3,4'-6,7-dihydro-5H-1-benzothiophene];hydrochloride?
spiro[1,2-dihydroisoindole-3,4'-6,7-dihydro-5H-1-benzothiophene];hydrochloride has a molecular weight of 277.82 g/mol, XLogP of 3.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,2-dihydroisoindole-3,4'-6,7-dihydro-5H-1-benzothiophene];hydrochloride is sourced from PubChem (CID 45262590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).