1-[3-amino-5-(2-ethylmorpholin-4-yl)-4-methoxythiophen-2-yl]ethanone

C13H20N2O3S — CID 103508916

IUPAC1-[3-amino-5-(2-ethylmorpholin-4-yl)-4-methoxythiophen-2-yl]ethanone
SMILESCCC1CN(c2sc(C(C)=O)c(N)c2OC)CCO1
InChIInChI=1S/C13H20N2O3S/c1-4-9-7-15(5-6-18-9)13-11(17-3)10(14)12(19-13)8(2)16/h9H,4-7,14H2,1-3H3
InChIKeyNPJBRNLDWDLIGK-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.16
Rot. Bonds4

About 1-[3-amino-5-(2-ethylmorpholin-4-yl)-4-methoxythiophen-2-yl]ethanone

1-[3-amino-5-(2-ethylmorpholin-4-yl)-4-methoxythiophen-2-yl]ethanone (PubChem CID 103508916) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-[3-amino-5-(2-ethylmorpholin-4-yl)-4-methoxythiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-5-(2-ethylmorpholin-4-yl)-4-methoxythiophen-2-yl]ethanone
PubChem CID103508916
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name1-[3-amino-5-(2-ethylmorpholin-4-yl)-4-methoxythiophen-2-yl]ethanone
SMILESCCC1CN(c2sc(C(C)=O)c(N)c2OC)CCO1
InChIInChI=1S/C13H20N2O3S/c1-4-9-7-15(5-6-18-9)13-11(17-3)10(14)12(19-13)8(2)16/h9H,4-7,14H2,1-3H3
InChIKeyNPJBRNLDWDLIGK-UHFFFAOYSA-N
XLogP2.16
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-amino-5-(2-ethylmorpholin-4-yl)-4-methoxythiophen-2-yl]ethanone 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-[3-amino-5-(2-ethylmorpholin-4-yl)-4-methoxythiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-5-(2-ethylmorpholin-4-yl)-4-methoxythiophen-2-yl]ethanone (CID 103508916) is 1-[3-amino-5-(2-ethylmorpholin-4-yl)-4-methoxythiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-5-(2-ethylmorpholin-4-yl)-4-methoxythiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-5-(2-ethylmorpholin-4-yl)-4-methoxythiophen-2-yl]ethanone is CCC1CN(c2sc(C(C)=O)c(N)c2OC)CCO1.
What is the InChIKey of 1-[3-amino-5-(2-ethylmorpholin-4-yl)-4-methoxythiophen-2-yl]ethanone?
The InChIKey is NPJBRNLDWDLIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-4-9-7-15(5-6-18-9)13-11(17-3)10(14)12(19-13)8(2)16/h9H,4-7,14H2,1-3H3.
What are the key properties of 1-[3-amino-5-(2-ethylmorpholin-4-yl)-4-methoxythiophen-2-yl]ethanone?
1-[3-amino-5-(2-ethylmorpholin-4-yl)-4-methoxythiophen-2-yl]ethanone has a molecular weight of 284.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-(2-ethylmorpholin-4-yl)-4-methoxythiophen-2-yl]ethanone is sourced from PubChem (CID 103508916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).