1-[3-amino-5-(2-methoxyethyl)thiophen-2-yl]ethanone

C9H13NO2S — CID 82376348

IUPAC1-[3-amino-5-(2-methoxyethyl)thiophen-2-yl]ethanone
SMILESCOCCc1cc(N)c(C(C)=O)s1
InChIInChI=1S/C9H13NO2S/c1-6(11)9-8(10)5-7(13-9)3-4-12-2/h5H,3-4,10H2,1-2H3
InChIKeyUDIZNOGOBIGLFC-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.72
Rot. Bonds4

About 1-[3-amino-5-(2-methoxyethyl)thiophen-2-yl]ethanone

1-[3-amino-5-(2-methoxyethyl)thiophen-2-yl]ethanone (PubChem CID 82376348) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is 1-[3-amino-5-(2-methoxyethyl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-5-(2-methoxyethyl)thiophen-2-yl]ethanone
PubChem CID82376348
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name1-[3-amino-5-(2-methoxyethyl)thiophen-2-yl]ethanone
SMILESCOCCc1cc(N)c(C(C)=O)s1
InChIInChI=1S/C9H13NO2S/c1-6(11)9-8(10)5-7(13-9)3-4-12-2/h5H,3-4,10H2,1-2H3
InChIKeyUDIZNOGOBIGLFC-UHFFFAOYSA-N
XLogP1.72
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(2-methoxyethyl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-5-(2-methoxyethyl)thiophen-2-yl]ethanone (CID 82376348) is 1-[3-amino-5-(2-methoxyethyl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-5-(2-methoxyethyl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-5-(2-methoxyethyl)thiophen-2-yl]ethanone is COCCc1cc(N)c(C(C)=O)s1.
What is the InChIKey of 1-[3-amino-5-(2-methoxyethyl)thiophen-2-yl]ethanone?
The InChIKey is UDIZNOGOBIGLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-6(11)9-8(10)5-7(13-9)3-4-12-2/h5H,3-4,10H2,1-2H3.
What are the key properties of 1-[3-amino-5-(2-methoxyethyl)thiophen-2-yl]ethanone?
1-[3-amino-5-(2-methoxyethyl)thiophen-2-yl]ethanone has a molecular weight of 199.27 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-(2-methoxyethyl)thiophen-2-yl]ethanone is sourced from PubChem (CID 82376348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).