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

C15H17NOS — CID 116600912

IUPAC[1-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone
SMILESNCC1(C(=O)c2cccc3ccsc23)CCCC1
InChIInChI=1S/C15H17NOS/c16-10-15(7-1-2-8-15)14(17)12-5-3-4-11-6-9-18-13(11)12/h3-6,9H,1-2,7-8,10,16H2
InChIKeyISYGBVATUYIUBX-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.60
Rot. Bonds3

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

[1-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone (PubChem CID 116600912) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone
PubChem CID116600912
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name[1-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone
SMILESNCC1(C(=O)c2cccc3ccsc23)CCCC1
InChIInChI=1S/C15H17NOS/c16-10-15(7-1-2-8-15)14(17)12-5-3-4-11-6-9-18-13(11)12/h3-6,9H,1-2,7-8,10,16H2
InChIKeyISYGBVATUYIUBX-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-7-yl-(1-methylcyclopentyl)methanone
CID 115791035
[1-(aminomethyl)cyclohexyl]-naphthalen-1-ylmethanone
CID 116600777
1-benzothiophen-7-yl-(1-methylcyclopropyl)methanone
CID 81154198
1-benzothiophen-7-yl-(2-methyloxan-2-yl)methanone
CID 81152952
[1-(aminomethyl)cycloheptyl]-quinolin-8-ylmethanone
CID 116602174
[1-(aminomethyl)cycloheptyl]-isoquinolin-8-ylmethanone
CID 103133490
1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methanone
CID 81153665
[2-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone
CID 116584292
[1-(aminomethyl)cyclobutyl]-(2,3-dimethylphenyl)methanone
CID 116600303
1-(1-benzothiophen-7-yl)-2-(1-methoxycyclobutyl)ethanone
CID 103558918
1-(1-benzothiophen-7-yl)-2-chloroethanone
CID 130948738
[1-(aminomethyl)cyclopropyl]-(2-hydroxyphenyl)methanone
CID 105444935

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone?
The IUPAC name of [1-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone (CID 116600912) is [1-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone is NCC1(C(=O)c2cccc3ccsc23)CCCC1.
What is the InChIKey of [1-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone?
The InChIKey is ISYGBVATUYIUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c16-10-15(7-1-2-8-15)14(17)12-5-3-4-11-6-9-18-13(11)12/h3-6,9H,1-2,7-8,10,16H2.
What are the key properties of [1-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone?
[1-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone has a molecular weight of 259.37 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone is sourced from PubChem (CID 116600912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).