4,5,6,7-tetrahydro-1-benzothiophen-2-ylmethanamine;hydrochloride

C9H14ClNS — CID 42950235

IUPAC4,5,6,7-tetrahydro-1-benzothiophen-2-ylmethanamine;hydrochloride
SMILESCl.NCc1cc2c(s1)CCCC2
InChIInChI=1S/C9H13NS.ClH/c10-6-8-5-7-3-1-2-4-9(7)11-8;/h5H,1-4,6,10H2;1H
InChIKeyFTVSPLXADCZCEH-UHFFFAOYSA-N
MW203.74 g/mol
LogP2.51
Rot. Bonds1

About 4,5,6,7-tetrahydro-1-benzothiophen-2-ylmethanamine;hydrochloride

4,5,6,7-tetrahydro-1-benzothiophen-2-ylmethanamine;hydrochloride (PubChem CID 42950235) has the molecular formula C9H14ClNS and a molecular weight of 203.74 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1-benzothiophen-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1-benzothiophen-2-ylmethanamine;hydrochloride
PubChem CID42950235
Molecular FormulaC9H14ClNS
Molecular Weight203.74 g/mol
Exact Mass203.05
IUPAC Name4,5,6,7-tetrahydro-1-benzothiophen-2-ylmethanamine;hydrochloride
SMILESCl.NCc1cc2c(s1)CCCC2
InChIInChI=1S/C9H13NS.ClH/c10-6-8-5-7-3-1-2-4-9(7)11-8;/h5H,1-4,6,10H2;1H
InChIKeyFTVSPLXADCZCEH-UHFFFAOYSA-N
XLogP2.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.74
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,5,6,7-tetrahydro-1-benzothiophen-2-ylmethanamine;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 4,5,6,7-tetrahydro-1-benzothiophen-2-ylmethanamine;hydrochloride?
The IUPAC name of 4,5,6,7-tetrahydro-1-benzothiophen-2-ylmethanamine;hydrochloride (CID 42950235) is 4,5,6,7-tetrahydro-1-benzothiophen-2-ylmethanamine;hydrochloride.
What is the SMILES notation for 4,5,6,7-tetrahydro-1-benzothiophen-2-ylmethanamine;hydrochloride?
The canonical SMILES for 4,5,6,7-tetrahydro-1-benzothiophen-2-ylmethanamine;hydrochloride is Cl.NCc1cc2c(s1)CCCC2.
What is the InChIKey of 4,5,6,7-tetrahydro-1-benzothiophen-2-ylmethanamine;hydrochloride?
The InChIKey is FTVSPLXADCZCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS.ClH/c10-6-8-5-7-3-1-2-4-9(7)11-8;/h5H,1-4,6,10H2;1H.
What are the key properties of 4,5,6,7-tetrahydro-1-benzothiophen-2-ylmethanamine;hydrochloride?
4,5,6,7-tetrahydro-1-benzothiophen-2-ylmethanamine;hydrochloride has a molecular weight of 203.74 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1-benzothiophen-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 42950235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).