5-(1-benzothiophen-7-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;hydrochloride

C15H16ClNS — CID 155345649

IUPAC5-(1-benzothiophen-7-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;hydrochloride
SMILESC1=C(c2cccc3ccsc23)CC2CNCC12.Cl
InChIInChI=1S/C15H15NS.ClH/c1-2-10-4-5-17-15(10)14(3-1)11-6-12-8-16-9-13(12)7-11;/h1-6,12-13,16H,7-9H2;1H
InChIKeySAOBEPQYKGFXRJ-UHFFFAOYSA-N
MW277.82 g/mol
LogP3.95
Rot. Bonds1

About 5-(1-benzothiophen-7-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;hydrochloride

5-(1-benzothiophen-7-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;hydrochloride (PubChem CID 155345649) has the molecular formula C15H16ClNS and a molecular weight of 277.82 g/mol. Its IUPAC name is 5-(1-benzothiophen-7-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;hydrochloride.

Molecular Properties

Compound Name5-(1-benzothiophen-7-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;hydrochloride
PubChem CID155345649
Molecular FormulaC15H16ClNS
Molecular Weight277.82 g/mol
Exact Mass277.07
IUPAC Name5-(1-benzothiophen-7-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;hydrochloride
SMILESC1=C(c2cccc3ccsc23)CC2CNCC12.Cl
InChIInChI=1S/C15H15NS.ClH/c1-2-10-4-5-17-15(10)14(3-1)11-6-12-8-16-9-13(12)7-11;/h1-6,12-13,16H,7-9H2;1H
InChIKeySAOBEPQYKGFXRJ-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.82
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(1-benzothiophen-7-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;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 5-(1-benzothiophen-7-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;hydrochloride?
The IUPAC name of 5-(1-benzothiophen-7-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;hydrochloride (CID 155345649) is 5-(1-benzothiophen-7-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;hydrochloride.
What is the SMILES notation for 5-(1-benzothiophen-7-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;hydrochloride?
The canonical SMILES for 5-(1-benzothiophen-7-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;hydrochloride is C1=C(c2cccc3ccsc23)CC2CNCC12.Cl.
What is the InChIKey of 5-(1-benzothiophen-7-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;hydrochloride?
The InChIKey is SAOBEPQYKGFXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NS.ClH/c1-2-10-4-5-17-15(10)14(3-1)11-6-12-8-16-9-13(12)7-11;/h1-6,12-13,16H,7-9H2;1H.
What are the key properties of 5-(1-benzothiophen-7-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;hydrochloride?
5-(1-benzothiophen-7-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;hydrochloride has a molecular weight of 277.82 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-7-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;hydrochloride is sourced from PubChem (CID 155345649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).