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

C10H15NO2S — CID 60785866

IUPACethyl 2-(ethylamino)-2-thiophen-3-ylacetate
SMILESCCNC(C(=O)OCC)c1ccsc1
InChIInChI=1S/C10H15NO2S/c1-3-11-9(10(12)13-4-2)8-5-6-14-7-8/h5-7,9,11H,3-4H2,1-2H3
InChIKeyOCSFXGIJYMTKRX-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.96
Rot. Bonds5

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

ethyl 2-(ethylamino)-2-thiophen-3-ylacetate (PubChem CID 60785866) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is ethyl 2-(ethylamino)-2-thiophen-3-ylacetate.

Molecular Properties

Compound Nameethyl 2-(ethylamino)-2-thiophen-3-ylacetate
PubChem CID60785866
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Nameethyl 2-(ethylamino)-2-thiophen-3-ylacetate
SMILESCCNC(C(=O)OCC)c1ccsc1
InChIInChI=1S/C10H15NO2S/c1-3-11-9(10(12)13-4-2)8-5-6-14-7-8/h5-7,9,11H,3-4H2,1-2H3
InChIKeyOCSFXGIJYMTKRX-UHFFFAOYSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-thiophen-3-yl-2-(thiophen-2-ylmethylamino)acetate
CID 54895068
ethyl 2-(cyclopentylamino)-2-thiophen-3-ylacetate
CID 54892913
ethyl 2-(2-methylanilino)-2-thiophen-3-ylacetate
CID 54889988
ethyl 2-thiophen-3-ylbutanoate
CID 12577566
methyl 2-(2-methylpropylamino)-2-thiophen-3-ylacetate
CID 61002769
ethyl 2-[4-(difluoromethyl)phenyl]-2-(ethylamino)acetate
CID 113328429
ethyl (3S)-3-amino-3-thiophen-3-ylpropanoate
CID 29059787
2-(butylamino)-2-thiophen-3-ylacetic acid
CID 84748440
methyl 2-(methylamino)-2-thiophen-3-ylacetate
CID 60787726
N-[(2,3,4,5,6-pentamethylphenyl)-thiophen-3-ylmethyl]ethanamine
CID 43489786
ethyl 2-(ethylamino)-2-(4-propan-2-yloxyphenyl)acetate
CID 54932724
ethyl N-(2-methoxy-2-thiophen-3-ylethyl)carbamate
CID 71804729

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylamino)-2-thiophen-3-ylacetate?
The IUPAC name of ethyl 2-(ethylamino)-2-thiophen-3-ylacetate (CID 60785866) is ethyl 2-(ethylamino)-2-thiophen-3-ylacetate.
What is the SMILES notation for ethyl 2-(ethylamino)-2-thiophen-3-ylacetate?
The canonical SMILES for ethyl 2-(ethylamino)-2-thiophen-3-ylacetate is CCNC(C(=O)OCC)c1ccsc1.
What is the InChIKey of ethyl 2-(ethylamino)-2-thiophen-3-ylacetate?
The InChIKey is OCSFXGIJYMTKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-3-11-9(10(12)13-4-2)8-5-6-14-7-8/h5-7,9,11H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(ethylamino)-2-thiophen-3-ylacetate?
ethyl 2-(ethylamino)-2-thiophen-3-ylacetate has a molecular weight of 213.30 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylamino)-2-thiophen-3-ylacetate is sourced from PubChem (CID 60785866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).