thiophen-2-ylmethyl 1-(4-aminophenyl)cyclopropane-1-carboxylate

C15H15NO2S — CID 112558524

IUPACthiophen-2-ylmethyl 1-(4-aminophenyl)cyclopropane-1-carboxylate
SMILESNc1ccc(C2(C(=O)OCc3cccs3)CC2)cc1
InChIInChI=1S/C15H15NO2S/c16-12-5-3-11(4-6-12)15(7-8-15)14(17)18-10-13-2-1-9-19-13/h1-6,9H,7-8,10,16H2
InChIKeyZOMIFIVDVHIAID-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.11
Rot. Bonds4

About thiophen-2-ylmethyl 1-(4-aminophenyl)cyclopropane-1-carboxylate

thiophen-2-ylmethyl 1-(4-aminophenyl)cyclopropane-1-carboxylate (PubChem CID 112558524) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is thiophen-2-ylmethyl 1-(4-aminophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namethiophen-2-ylmethyl 1-(4-aminophenyl)cyclopropane-1-carboxylate
PubChem CID112558524
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Namethiophen-2-ylmethyl 1-(4-aminophenyl)cyclopropane-1-carboxylate
SMILESNc1ccc(C2(C(=O)OCc3cccs3)CC2)cc1
InChIInChI=1S/C15H15NO2S/c16-12-5-3-11(4-6-12)15(7-8-15)14(17)18-10-13-2-1-9-19-13/h1-6,9H,7-8,10,16H2
InChIKeyZOMIFIVDVHIAID-UHFFFAOYSA-N
XLogP3.11
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of thiophen-2-ylmethyl 1-(4-aminophenyl)cyclopropane-1-carboxylate?
The IUPAC name of thiophen-2-ylmethyl 1-(4-aminophenyl)cyclopropane-1-carboxylate (CID 112558524) is thiophen-2-ylmethyl 1-(4-aminophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for thiophen-2-ylmethyl 1-(4-aminophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for thiophen-2-ylmethyl 1-(4-aminophenyl)cyclopropane-1-carboxylate is Nc1ccc(C2(C(=O)OCc3cccs3)CC2)cc1.
What is the InChIKey of thiophen-2-ylmethyl 1-(4-aminophenyl)cyclopropane-1-carboxylate?
The InChIKey is ZOMIFIVDVHIAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c16-12-5-3-11(4-6-12)15(7-8-15)14(17)18-10-13-2-1-9-19-13/h1-6,9H,7-8,10,16H2.
What are the key properties of thiophen-2-ylmethyl 1-(4-aminophenyl)cyclopropane-1-carboxylate?
thiophen-2-ylmethyl 1-(4-aminophenyl)cyclopropane-1-carboxylate has a molecular weight of 273.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-ylmethyl 1-(4-aminophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 112558524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).