1-(1-aminocyclopentyl)-3-(5-ethylthiophen-2-yl)propan-2-one

C14H21NOS — CID 116578854

IUPAC1-(1-aminocyclopentyl)-3-(5-ethylthiophen-2-yl)propan-2-one
SMILESCCc1ccc(CC(=O)CC2(N)CCCC2)s1
InChIInChI=1S/C14H21NOS/c1-2-12-5-6-13(17-12)9-11(16)10-14(15)7-3-4-8-14/h5-6H,2-4,7-10,15H2,1H3
InChIKeyAOIJURKWNQSLKO-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.08
Rot. Bonds5

About 1-(1-aminocyclopentyl)-3-(5-ethylthiophen-2-yl)propan-2-one

1-(1-aminocyclopentyl)-3-(5-ethylthiophen-2-yl)propan-2-one (PubChem CID 116578854) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 1-(1-aminocyclopentyl)-3-(5-ethylthiophen-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-aminocyclopentyl)-3-(5-ethylthiophen-2-yl)propan-2-one
PubChem CID116578854
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name1-(1-aminocyclopentyl)-3-(5-ethylthiophen-2-yl)propan-2-one
SMILESCCc1ccc(CC(=O)CC2(N)CCCC2)s1
InChIInChI=1S/C14H21NOS/c1-2-12-5-6-13(17-12)9-11(16)10-14(15)7-3-4-8-14/h5-6H,2-4,7-10,15H2,1H3
InChIKeyAOIJURKWNQSLKO-UHFFFAOYSA-N
XLogP3.08
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 106829547
1-(1-aminocyclopentyl)-3-phenylpropan-2-one
CID 116578581
1-(1-aminocyclopentyl)-3-(5-ethyl-2-pyridinyl)propan-2-one
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2-(5-ethylthiophen-2-yl)-1-(4-methylpiperidin-4-yl)ethanone
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2-(5-ethylthiophen-2-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone
CID 79059531
2-(5-ethylthiophen-2-yl)-1-(3-methylpyrrolidin-3-yl)ethanone
CID 116570139
1-(5-ethylthiophen-2-yl)-4,4-dimethylpentan-2-one
CID 63892354
1-amino-N-[(5-ethylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
CID 103809198
N-[(5-ethylthiophen-2-yl)methyl]-1-hydroxycyclopentane-1-carboxamide
CID 110907354
4-(aminomethyl)-1-(5-ethylthiophen-2-yl)hexan-2-one
CID 116596414
1-cyclobutyl-2-(5-ethylthiophen-2-yl)ethanone
CID 64982251
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CID 116591276

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclopentyl)-3-(5-ethylthiophen-2-yl)propan-2-one?
The IUPAC name of 1-(1-aminocyclopentyl)-3-(5-ethylthiophen-2-yl)propan-2-one (CID 116578854) is 1-(1-aminocyclopentyl)-3-(5-ethylthiophen-2-yl)propan-2-one.
What is the SMILES notation for 1-(1-aminocyclopentyl)-3-(5-ethylthiophen-2-yl)propan-2-one?
The canonical SMILES for 1-(1-aminocyclopentyl)-3-(5-ethylthiophen-2-yl)propan-2-one is CCc1ccc(CC(=O)CC2(N)CCCC2)s1.
What is the InChIKey of 1-(1-aminocyclopentyl)-3-(5-ethylthiophen-2-yl)propan-2-one?
The InChIKey is AOIJURKWNQSLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-2-12-5-6-13(17-12)9-11(16)10-14(15)7-3-4-8-14/h5-6H,2-4,7-10,15H2,1H3.
What are the key properties of 1-(1-aminocyclopentyl)-3-(5-ethylthiophen-2-yl)propan-2-one?
1-(1-aminocyclopentyl)-3-(5-ethylthiophen-2-yl)propan-2-one has a molecular weight of 251.39 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclopentyl)-3-(5-ethylthiophen-2-yl)propan-2-one is sourced from PubChem (CID 116578854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).