1-(1-aminocyclopentyl)-3-thiophen-3-ylpropan-1-one

C12H17NOS — CID 116558832

IUPAC1-(1-aminocyclopentyl)-3-thiophen-3-ylpropan-1-one
SMILESNC1(C(=O)CCc2ccsc2)CCCC1
InChIInChI=1S/C12H17NOS/c13-12(6-1-2-7-12)11(14)4-3-10-5-8-15-9-10/h5,8-9H,1-4,6-7,13H2
InChIKeyAZNNUXMYDQVUGJ-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.52
Rot. Bonds4

About 1-(1-aminocyclopentyl)-3-thiophen-3-ylpropan-1-one

1-(1-aminocyclopentyl)-3-thiophen-3-ylpropan-1-one (PubChem CID 116558832) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-(1-aminocyclopentyl)-3-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(1-aminocyclopentyl)-3-thiophen-3-ylpropan-1-one
PubChem CID116558832
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name1-(1-aminocyclopentyl)-3-thiophen-3-ylpropan-1-one
SMILESNC1(C(=O)CCc2ccsc2)CCCC1
InChIInChI=1S/C12H17NOS/c13-12(6-1-2-7-12)11(14)4-3-10-5-8-15-9-10/h5,8-9H,1-4,6-7,13H2
InChIKeyAZNNUXMYDQVUGJ-UHFFFAOYSA-N
XLogP2.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-one
CID 114972116
1-(3-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one
CID 116570036
1-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide
CID 61167976
1-[methyl(3-thiophen-3-ylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 120539458
1-cyclobutyl-3-thiophen-3-ylpropan-1-one
CID 64981798
1-(2-thiophen-3-ylethyl)cyclopropan-1-amine
CID 66025535
1-(4,4-dimethylcyclohexyl)-3-thiophen-3-ylpropan-1-one
CID 65390404
(1-aminocyclobutyl)-thiophen-3-ylmethanone
CID 116598388
5-thiophen-3-ylpentanamide
CID 11171370
1-(3-thiophen-3-ylpropylamino)cyclohexane-1-carboxamide
CID 75454010
1-(2-aminocyclohexyl)-3-thiophen-3-ylpropan-1-one
CID 116579929
1-(4-aminophenyl)-3-thiophen-3-ylpropan-1-one
CID 116548804

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclopentyl)-3-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-(1-aminocyclopentyl)-3-thiophen-3-ylpropan-1-one (CID 116558832) is 1-(1-aminocyclopentyl)-3-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-(1-aminocyclopentyl)-3-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-(1-aminocyclopentyl)-3-thiophen-3-ylpropan-1-one is NC1(C(=O)CCc2ccsc2)CCCC1.
What is the InChIKey of 1-(1-aminocyclopentyl)-3-thiophen-3-ylpropan-1-one?
The InChIKey is AZNNUXMYDQVUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c13-12(6-1-2-7-12)11(14)4-3-10-5-8-15-9-10/h5,8-9H,1-4,6-7,13H2.
What are the key properties of 1-(1-aminocyclopentyl)-3-thiophen-3-ylpropan-1-one?
1-(1-aminocyclopentyl)-3-thiophen-3-ylpropan-1-one has a molecular weight of 223.34 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclopentyl)-3-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 116558832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).