ethyl 2-(dimethylamino)-2-thiophen-3-ylacetate

C10H15NO2S — CID 138111247

IUPACethyl 2-(dimethylamino)-2-thiophen-3-ylacetate
SMILESCCOC(=O)C(c1ccsc1)N(C)C
InChIInChI=1S/C10H15NO2S/c1-4-13-10(12)9(11(2)3)8-5-6-14-7-8/h5-7,9H,4H2,1-3H3
InChIKeySUOJPHAZYYTBFN-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.91
Rot. Bonds4

About ethyl 2-(dimethylamino)-2-thiophen-3-ylacetate

ethyl 2-(dimethylamino)-2-thiophen-3-ylacetate (PubChem CID 138111247) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is ethyl 2-(dimethylamino)-2-thiophen-3-ylacetate.

Molecular Properties

Compound Nameethyl 2-(dimethylamino)-2-thiophen-3-ylacetate
PubChem CID138111247
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Nameethyl 2-(dimethylamino)-2-thiophen-3-ylacetate
SMILESCCOC(=O)C(c1ccsc1)N(C)C
InChIInChI=1S/C10H15NO2S/c1-4-13-10(12)9(11(2)3)8-5-6-14-7-8/h5-7,9H,4H2,1-3H3
InChIKeySUOJPHAZYYTBFN-UHFFFAOYSA-N
XLogP1.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(dimethylamino)-2-thiophen-3-ylacetate?
The IUPAC name of ethyl 2-(dimethylamino)-2-thiophen-3-ylacetate (CID 138111247) is ethyl 2-(dimethylamino)-2-thiophen-3-ylacetate.
What is the SMILES notation for ethyl 2-(dimethylamino)-2-thiophen-3-ylacetate?
The canonical SMILES for ethyl 2-(dimethylamino)-2-thiophen-3-ylacetate is CCOC(=O)C(c1ccsc1)N(C)C.
What is the InChIKey of ethyl 2-(dimethylamino)-2-thiophen-3-ylacetate?
The InChIKey is SUOJPHAZYYTBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-4-13-10(12)9(11(2)3)8-5-6-14-7-8/h5-7,9H,4H2,1-3H3.
What are the key properties of ethyl 2-(dimethylamino)-2-thiophen-3-ylacetate?
ethyl 2-(dimethylamino)-2-thiophen-3-ylacetate has a molecular weight of 213.30 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(dimethylamino)-2-thiophen-3-ylacetate is sourced from PubChem (CID 138111247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).