2-(1-aminocyclopentyl)-1-(5-methylthiophen-3-yl)ethanone

C12H17NOS — CID 116578861

IUPAC2-(1-aminocyclopentyl)-1-(5-methylthiophen-3-yl)ethanone
SMILESCc1cc(C(=O)CC2(N)CCCC2)cs1
InChIInChI=1S/C12H17NOS/c1-9-6-10(8-15-9)11(14)7-12(13)4-2-3-5-12/h6,8H,2-5,7,13H2,1H3
InChIKeyPTBAKLNGEVSLRT-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.90
Rot. Bonds3

About 2-(1-aminocyclopentyl)-1-(5-methylthiophen-3-yl)ethanone

2-(1-aminocyclopentyl)-1-(5-methylthiophen-3-yl)ethanone (PubChem CID 116578861) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-1-(5-methylthiophen-3-yl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-1-(5-methylthiophen-3-yl)ethanone
PubChem CID116578861
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name2-(1-aminocyclopentyl)-1-(5-methylthiophen-3-yl)ethanone
SMILESCc1cc(C(=O)CC2(N)CCCC2)cs1
InChIInChI=1S/C12H17NOS/c1-9-6-10(8-15-9)11(14)7-12(13)4-2-3-5-12/h6,8H,2-5,7,13H2,1H3
InChIKeyPTBAKLNGEVSLRT-UHFFFAOYSA-N
XLogP2.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclopentyl)-(5-methylthiophen-3-yl)methanone
CID 116558927
2-(1-methoxycyclobutyl)-1-(5-methylthiophen-3-yl)ethanone
CID 103558846
2-(1-aminocyclopentyl)-1-(3-fluoro-5-methylphenyl)ethanone
CID 116578661
2-(1-aminocyclopentyl)-1-thiophen-3-ylethanone
CID 116578647
[1-(dimethylamino)cyclopentyl]-(5-methylthiophen-3-yl)methanone
CID 79067454
2-(1-aminocyclopentyl)-1-(4-ethylphenyl)ethanone
CID 116578853
[1-(dimethylamino)cycloheptyl]-(5-methylthiophen-3-yl)methanone
CID 79074712
2-(1-aminocyclobutyl)-1-(3-chloro-4-methylphenyl)ethanone
CID 107561340
2-(1-aminocyclohexyl)-1-(2-methylquinolin-6-yl)ethanone
CID 116578986
2-(1-aminocyclopentyl)-1-(2-methylphenyl)ethanone
CID 116578815
2-(1-aminocyclohexyl)-1-(2,4-dimethylphenyl)ethanone
CID 116578896
(1-methoxycyclobutyl)-(5-methylthiophen-3-yl)methanone
CID 116707055

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-1-(5-methylthiophen-3-yl)ethanone?
The IUPAC name of 2-(1-aminocyclopentyl)-1-(5-methylthiophen-3-yl)ethanone (CID 116578861) is 2-(1-aminocyclopentyl)-1-(5-methylthiophen-3-yl)ethanone.
What is the SMILES notation for 2-(1-aminocyclopentyl)-1-(5-methylthiophen-3-yl)ethanone?
The canonical SMILES for 2-(1-aminocyclopentyl)-1-(5-methylthiophen-3-yl)ethanone is Cc1cc(C(=O)CC2(N)CCCC2)cs1.
What is the InChIKey of 2-(1-aminocyclopentyl)-1-(5-methylthiophen-3-yl)ethanone?
The InChIKey is PTBAKLNGEVSLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-9-6-10(8-15-9)11(14)7-12(13)4-2-3-5-12/h6,8H,2-5,7,13H2,1H3.
What are the key properties of 2-(1-aminocyclopentyl)-1-(5-methylthiophen-3-yl)ethanone?
2-(1-aminocyclopentyl)-1-(5-methylthiophen-3-yl)ethanone has a molecular weight of 223.34 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-1-(5-methylthiophen-3-yl)ethanone is sourced from PubChem (CID 116578861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).