ethyl 2-(prop-2-ynylamino)-2-thiophen-2-ylacetate

C11H13NO2S — CID 62365133

IUPACethyl 2-(prop-2-ynylamino)-2-thiophen-2-ylacetate
SMILESC#CCNC(C(=O)OCC)c1cccs1
InChIInChI=1S/C11H13NO2S/c1-3-7-12-10(11(13)14-4-2)9-6-5-8-15-9/h1,5-6,8,10,12H,4,7H2,2H3
InChIKeyMVGJATWAUWYZCE-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.58
Rot. Bonds5

About ethyl 2-(prop-2-ynylamino)-2-thiophen-2-ylacetate

ethyl 2-(prop-2-ynylamino)-2-thiophen-2-ylacetate (PubChem CID 62365133) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is ethyl 2-(prop-2-ynylamino)-2-thiophen-2-ylacetate.

Molecular Properties

Compound Nameethyl 2-(prop-2-ynylamino)-2-thiophen-2-ylacetate
PubChem CID62365133
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Nameethyl 2-(prop-2-ynylamino)-2-thiophen-2-ylacetate
SMILESC#CCNC(C(=O)OCC)c1cccs1
InChIInChI=1S/C11H13NO2S/c1-3-7-12-10(11(13)14-4-2)9-6-5-8-15-9/h1,5-6,8,10,12H,4,7H2,2H3
InChIKeyMVGJATWAUWYZCE-UHFFFAOYSA-N
XLogP1.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze ethyl 2-(prop-2-ynylamino)-2-thiophen-2-ylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetate
CID 61347720
2-(ethoxycarbonylamino)-2-thiophen-2-ylacetic acid
CID 115284231
ethyl 3-oxo-2-(thiophene-2-carbonyl)-3-thiophen-2-ylpropanoate
CID 139814505
ethyl 2-(2,4-dichlorophenyl)-2-(prop-2-ynylamino)acetate
CID 55063018
2-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]-2-thiophen-2-ylacetic acid
CID 115285363
ethyl 2-(3-fluoro-4-methylphenyl)-2-(prop-2-ynylamino)acetate
CID 63648457
ethyl 2-(prop-2-ynylamino)-2-[4-(trifluoromethoxy)phenyl]acetate
CID 62365998
ethyl 2-(4-bromo-5-methylthiophen-2-yl)-2-(thiophen-2-ylmethylamino)acetate
CID 102840934
diethyl 2-(thiophene-2-carbonylamino)propanedioate
CID 43409057
methyl 2-thiophen-2-yl-2-(2,2,2-trifluoroethylamino)acetate
CID 61345565
ethyl (2S)-2-piperidin-1-yl-2-thiophen-2-ylacetate
CID 97355402
tert-butyl 2-[(2-methoxy-2-oxoethyl)amino]-2-thiophen-2-ylacetate
CID 19834269

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(prop-2-ynylamino)-2-thiophen-2-ylacetate?
The IUPAC name of ethyl 2-(prop-2-ynylamino)-2-thiophen-2-ylacetate (CID 62365133) is ethyl 2-(prop-2-ynylamino)-2-thiophen-2-ylacetate.
What is the SMILES notation for ethyl 2-(prop-2-ynylamino)-2-thiophen-2-ylacetate?
The canonical SMILES for ethyl 2-(prop-2-ynylamino)-2-thiophen-2-ylacetate is C#CCNC(C(=O)OCC)c1cccs1.
What is the InChIKey of ethyl 2-(prop-2-ynylamino)-2-thiophen-2-ylacetate?
The InChIKey is MVGJATWAUWYZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-3-7-12-10(11(13)14-4-2)9-6-5-8-15-9/h1,5-6,8,10,12H,4,7H2,2H3.
What are the key properties of ethyl 2-(prop-2-ynylamino)-2-thiophen-2-ylacetate?
ethyl 2-(prop-2-ynylamino)-2-thiophen-2-ylacetate has a molecular weight of 223.30 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(prop-2-ynylamino)-2-thiophen-2-ylacetate is sourced from PubChem (CID 62365133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).