[2-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone

C15H17NOS — CID 116584292

IUPAC[2-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone
SMILESNCC1CCCC1C(=O)c1cccc2ccsc12
InChIInChI=1S/C15H17NOS/c16-9-11-4-2-5-12(11)14(17)13-6-1-3-10-7-8-18-15(10)13/h1,3,6-8,11-12H,2,4-5,9,16H2
InChIKeyGYIQERYZYCMDLW-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.46
Rot. Bonds3

About [2-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone

[2-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone (PubChem CID 116584292) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is [2-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone
PubChem CID116584292
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name[2-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone
SMILESNCC1CCCC1C(=O)c1cccc2ccsc12
InChIInChI=1S/C15H17NOS/c16-9-11-4-2-5-12(11)14(17)13-6-1-3-10-7-8-18-15(10)13/h1,3,6-8,11-12H,2,4-5,9,16H2
InChIKeyGYIQERYZYCMDLW-UHFFFAOYSA-N
XLogP3.46
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

[2-(aminomethyl)cyclohexyl]-(2,3-dimethylphenyl)methanone
CID 116584561
[2-(aminomethyl)cyclohexyl]-(2,3-dichlorophenyl)methanone
CID 116584564
1-benzothiophen-7-yl-(2-phenylcyclopropyl)methanone
CID 115791036
1-benzothiophen-7-yl(pyrrolidin-2-yl)methanone
CID 116547417
1-(1-benzothiophen-7-yl)-2-cycloheptylethanone
CID 115791021
[2-(aminomethyl)cyclohexyl]-(2-amino-3-pyridinyl)methanone
CID 116584732
[2-(aminomethyl)cyclohexyl]-(2-ethoxyphenyl)methanone
CID 116584488
1-benzothiophen-7-yl-(1-methylcyclopropyl)methanone
CID 81154198
1-benzothiophen-7-yl-(1-methylcyclopentyl)methanone
CID 115791035
1-(1-benzothiophen-7-yl)-2-cyclohexyl-2-hydroxyethanone
CID 103457692
1-(1-benzothiophen-7-yl)-2-chloroethanone
CID 130948738
1-[2-(aminomethyl)cyclopentyl]-2-(1,3-thiazol-2-yl)ethanone
CID 116584260

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone?
The IUPAC name of [2-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone (CID 116584292) is [2-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone?
The canonical SMILES for [2-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone is NCC1CCCC1C(=O)c1cccc2ccsc12.
What is the InChIKey of [2-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone?
The InChIKey is GYIQERYZYCMDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c16-9-11-4-2-5-12(11)14(17)13-6-1-3-10-7-8-18-15(10)13/h1,3,6-8,11-12H,2,4-5,9,16H2.
What are the key properties of [2-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone?
[2-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone has a molecular weight of 259.37 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone is sourced from PubChem (CID 116584292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).