(1-aminocyclopentanecarbonyl) 1-benzothiophene-2-carboxylate

C15H15NO3S — CID 91152950

IUPAC(1-aminocyclopentanecarbonyl) 1-benzothiophene-2-carboxylate
SMILESNC1(C(=O)OC(=O)c2cc3ccccc3s2)CCCC1
InChIInChI=1S/C15H15NO3S/c16-15(7-3-4-8-15)14(18)19-13(17)12-9-10-5-1-2-6-11(10)20-12/h1-2,5-6,9H,3-4,7-8,16H2
InChIKeyTZJJJZBTNJHDTE-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.86
Rot. Bonds2

About (1-aminocyclopentanecarbonyl) 1-benzothiophene-2-carboxylate

(1-aminocyclopentanecarbonyl) 1-benzothiophene-2-carboxylate (PubChem CID 91152950) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is (1-aminocyclopentanecarbonyl) 1-benzothiophene-2-carboxylate.

Molecular Properties

Compound Name(1-aminocyclopentanecarbonyl) 1-benzothiophene-2-carboxylate
PubChem CID91152950
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name(1-aminocyclopentanecarbonyl) 1-benzothiophene-2-carboxylate
SMILESNC1(C(=O)OC(=O)c2cc3ccccc3s2)CCCC1
InChIInChI=1S/C15H15NO3S/c16-15(7-3-4-8-15)14(18)19-13(17)12-9-10-5-1-2-6-11(10)20-12/h1-2,5-6,9H,3-4,7-8,16H2
InChIKeyTZJJJZBTNJHDTE-UHFFFAOYSA-N
XLogP2.86
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (1-aminocyclopentanecarbonyl) 1-benzothiophene-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentanecarbonyl) 1-benzothiophene-2-carboxylate?
The IUPAC name of (1-aminocyclopentanecarbonyl) 1-benzothiophene-2-carboxylate (CID 91152950) is (1-aminocyclopentanecarbonyl) 1-benzothiophene-2-carboxylate.
What is the SMILES notation for (1-aminocyclopentanecarbonyl) 1-benzothiophene-2-carboxylate?
The canonical SMILES for (1-aminocyclopentanecarbonyl) 1-benzothiophene-2-carboxylate is NC1(C(=O)OC(=O)c2cc3ccccc3s2)CCCC1.
What is the InChIKey of (1-aminocyclopentanecarbonyl) 1-benzothiophene-2-carboxylate?
The InChIKey is TZJJJZBTNJHDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c16-15(7-3-4-8-15)14(18)19-13(17)12-9-10-5-1-2-6-11(10)20-12/h1-2,5-6,9H,3-4,7-8,16H2.
What are the key properties of (1-aminocyclopentanecarbonyl) 1-benzothiophene-2-carboxylate?
(1-aminocyclopentanecarbonyl) 1-benzothiophene-2-carboxylate has a molecular weight of 289.36 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentanecarbonyl) 1-benzothiophene-2-carboxylate is sourced from PubChem (CID 91152950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).