1-(2-amino-4,5-dimethylthiophen-3-yl)-2-cyclopropylethanone

C11H15NOS — CID 126673235

IUPAC1-(2-amino-4,5-dimethylthiophen-3-yl)-2-cyclopropylethanone
SMILESCc1sc(N)c(C(=O)CC2CC2)c1C
InChIInChI=1S/C11H15NOS/c1-6-7(2)14-11(12)10(6)9(13)5-8-3-4-8/h8H,3-5,12H2,1-2H3
InChIKeySELDZNZGEYSIEB-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.93
Rot. Bonds3

About 1-(2-amino-4,5-dimethylthiophen-3-yl)-2-cyclopropylethanone

1-(2-amino-4,5-dimethylthiophen-3-yl)-2-cyclopropylethanone (PubChem CID 126673235) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-(2-amino-4,5-dimethylthiophen-3-yl)-2-cyclopropylethanone.

Molecular Properties

Compound Name1-(2-amino-4,5-dimethylthiophen-3-yl)-2-cyclopropylethanone
PubChem CID126673235
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name1-(2-amino-4,5-dimethylthiophen-3-yl)-2-cyclopropylethanone
SMILESCc1sc(N)c(C(=O)CC2CC2)c1C
InChIInChI=1S/C11H15NOS/c1-6-7(2)14-11(12)10(6)9(13)5-8-3-4-8/h8H,3-5,12H2,1-2H3
InChIKeySELDZNZGEYSIEB-UHFFFAOYSA-N
XLogP2.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4,5-dimethylthiophen-3-yl)-2-cyclopropylethanone?
The IUPAC name of 1-(2-amino-4,5-dimethylthiophen-3-yl)-2-cyclopropylethanone (CID 126673235) is 1-(2-amino-4,5-dimethylthiophen-3-yl)-2-cyclopropylethanone.
What is the SMILES notation for 1-(2-amino-4,5-dimethylthiophen-3-yl)-2-cyclopropylethanone?
The canonical SMILES for 1-(2-amino-4,5-dimethylthiophen-3-yl)-2-cyclopropylethanone is Cc1sc(N)c(C(=O)CC2CC2)c1C.
What is the InChIKey of 1-(2-amino-4,5-dimethylthiophen-3-yl)-2-cyclopropylethanone?
The InChIKey is SELDZNZGEYSIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-6-7(2)14-11(12)10(6)9(13)5-8-3-4-8/h8H,3-5,12H2,1-2H3.
What are the key properties of 1-(2-amino-4,5-dimethylthiophen-3-yl)-2-cyclopropylethanone?
1-(2-amino-4,5-dimethylthiophen-3-yl)-2-cyclopropylethanone has a molecular weight of 209.31 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4,5-dimethylthiophen-3-yl)-2-cyclopropylethanone is sourced from PubChem (CID 126673235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).