ethyl 2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetate

C12H20N2O2S — CID 61347720

IUPACethyl 2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetate
SMILESCCOC(=O)C(NCCN(C)C)c1cccs1
InChIInChI=1S/C12H20N2O2S/c1-4-16-12(15)11(10-6-5-9-17-10)13-7-8-14(2)3/h5-6,9,11,13H,4,7-8H2,1-3H3
InChIKeyVFPPIDCUMJQJJF-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.50
Rot. Bonds7

About ethyl 2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetate

ethyl 2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetate (PubChem CID 61347720) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is ethyl 2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetate.

Molecular Properties

Compound Nameethyl 2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetate
PubChem CID61347720
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Nameethyl 2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetate
SMILESCCOC(=O)C(NCCN(C)C)c1cccs1
InChIInChI=1S/C12H20N2O2S/c1-4-16-12(15)11(10-6-5-9-17-10)13-7-8-14(2)3/h5-6,9,11,13H,4,7-8H2,1-3H3
InChIKeyVFPPIDCUMJQJJF-UHFFFAOYSA-N
XLogP1.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(prop-2-ynylamino)-2-thiophen-2-ylacetate
CID 62365133
ethyl 2-[2-(dimethylamino)ethylamino]-2-(2-fluorophenyl)acetate
CID 54895378
ethyl 2-(2-cyclopropylphenyl)-2-[2-(dimethylamino)ethylamino]acetate
CID 79972888
2-[2-(dimethylamino)ethylamino]-1-thiophen-2-ylpropan-1-ol
CID 82314461
ethyl 2-[2-(dimethylamino)ethylamino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate
CID 64975108
2-(ethoxycarbonylamino)-2-thiophen-2-ylacetic acid
CID 115284231
2-[2-(dimethylamino)ethylamino]-2-(3-methylthiophen-2-yl)acetamide
CID 61347921
2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetonitrile
CID 61346756
2-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]-2-thiophen-2-ylacetic acid
CID 115285363
2-amino-N-[2-(dimethylamino)ethyl]-N-propyl-2-thiophen-2-ylacetamide
CID 113279213
ethyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride
CID 141274258
ethyl 2-(4-bromo-5-methylthiophen-2-yl)-2-(thiophen-2-ylmethylamino)acetate
CID 102840934

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetate?
The IUPAC name of ethyl 2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetate (CID 61347720) is ethyl 2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetate.
What is the SMILES notation for ethyl 2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetate?
The canonical SMILES for ethyl 2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetate is CCOC(=O)C(NCCN(C)C)c1cccs1.
What is the InChIKey of ethyl 2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetate?
The InChIKey is VFPPIDCUMJQJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-4-16-12(15)11(10-6-5-9-17-10)13-7-8-14(2)3/h5-6,9,11,13H,4,7-8H2,1-3H3.
What are the key properties of ethyl 2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetate?
ethyl 2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetate has a molecular weight of 256.37 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetate is sourced from PubChem (CID 61347720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).