N-(2-methoxyethyl)-2-thiophen-2-ylcyclopropane-1-carboxamide

C11H15NO2S — CID 110681278

IUPACN-(2-methoxyethyl)-2-thiophen-2-ylcyclopropane-1-carboxamide
SMILESCOCCNC(=O)C1CC1c1cccs1
InChIInChI=1S/C11H15NO2S/c1-14-5-4-12-11(13)9-7-8(9)10-3-2-6-15-10/h2-3,6,8-9H,4-5,7H2,1H3,(H,12,13)
InChIKeyOXDFSNLMLMZLOL-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.61
Rot. Bonds5

About N-(2-methoxyethyl)-2-thiophen-2-ylcyclopropane-1-carboxamide

N-(2-methoxyethyl)-2-thiophen-2-ylcyclopropane-1-carboxamide (PubChem CID 110681278) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-thiophen-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-thiophen-2-ylcyclopropane-1-carboxamide
PubChem CID110681278
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC NameN-(2-methoxyethyl)-2-thiophen-2-ylcyclopropane-1-carboxamide
SMILESCOCCNC(=O)C1CC1c1cccs1
InChIInChI=1S/C11H15NO2S/c1-14-5-4-12-11(13)9-7-8(9)10-3-2-6-15-10/h2-3,6,8-9H,4-5,7H2,1H3,(H,12,13)
InChIKeyOXDFSNLMLMZLOL-UHFFFAOYSA-N
XLogP1.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-thiophen-2-ylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-thiophen-2-ylcyclopropane-1-carboxamide (CID 110681278) is N-(2-methoxyethyl)-2-thiophen-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-thiophen-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-thiophen-2-ylcyclopropane-1-carboxamide is COCCNC(=O)C1CC1c1cccs1.
What is the InChIKey of N-(2-methoxyethyl)-2-thiophen-2-ylcyclopropane-1-carboxamide?
The InChIKey is OXDFSNLMLMZLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-14-5-4-12-11(13)9-7-8(9)10-3-2-6-15-10/h2-3,6,8-9H,4-5,7H2,1H3,(H,12,13).
What are the key properties of N-(2-methoxyethyl)-2-thiophen-2-ylcyclopropane-1-carboxamide?
N-(2-methoxyethyl)-2-thiophen-2-ylcyclopropane-1-carboxamide has a molecular weight of 225.31 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-thiophen-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 110681278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).