ethyl 2-cyclopropyl-2-(thiophen-2-ylmethylamino)acetate

C12H17NO2S — CID 61310739

IUPACethyl 2-cyclopropyl-2-(thiophen-2-ylmethylamino)acetate
SMILESCCOC(=O)C(NCc1cccs1)C1CC1
InChIInChI=1S/C12H17NO2S/c1-2-15-12(14)11(9-5-6-9)13-8-10-4-3-7-16-10/h3-4,7,9,11,13H,2,5-6,8H2,1H3
InChIKeyMNQMPFOLJJPBDM-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.18
Rot. Bonds6

About ethyl 2-cyclopropyl-2-(thiophen-2-ylmethylamino)acetate

ethyl 2-cyclopropyl-2-(thiophen-2-ylmethylamino)acetate (PubChem CID 61310739) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-2-(thiophen-2-ylmethylamino)acetate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-2-(thiophen-2-ylmethylamino)acetate
PubChem CID61310739
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Nameethyl 2-cyclopropyl-2-(thiophen-2-ylmethylamino)acetate
SMILESCCOC(=O)C(NCc1cccs1)C1CC1
InChIInChI=1S/C12H17NO2S/c1-2-15-12(14)11(9-5-6-9)13-8-10-4-3-7-16-10/h3-4,7,9,11,13H,2,5-6,8H2,1H3
InChIKeyMNQMPFOLJJPBDM-UHFFFAOYSA-N
XLogP2.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-cyclopropyl-2-(thiophen-2-ylmethylamino)acetate 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 3-methyl-2-(thiophen-2-ylmethylamino)pentanoate
CID 61319361
methyl 2-(3,5-dimethylcyclohex-3-en-1-yl)-2-(thiophen-2-ylmethylamino)acetate
CID 103277317
ethyl 2-(thiophen-2-ylmethylamino)hexanoate
CID 61353160
ethyl 2-(thiophen-2-ylmethylamino)heptanoate
CID 54895021
ethyl 2-(thiophen-2-ylmethylamino)nonanoate
CID 63523767
ethyl 4-phenyl-2-(thiophen-2-ylmethylamino)butanoate
CID 62881288
ethyl 2-thiophen-3-yl-2-(thiophen-2-ylmethylamino)acetate
CID 54895068
ethyl 4-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylate
CID 54867048
ethyl 2-(2-bromo-5-chlorophenyl)-2-(thiophen-2-ylmethylamino)acetate
CID 66156855
methyl 3-cyclobutyl-3-(thiophen-2-ylmethylamino)propanoate
CID 134162056
2-(5-methyloxolan-2-yl)-2-(thiophen-2-ylmethylamino)acetic acid
CID 82838185
methyl 2-(2-cyclopropylphenyl)-2-(thiophen-2-ylmethylamino)acetate
CID 79972889

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-2-(thiophen-2-ylmethylamino)acetate?
The IUPAC name of ethyl 2-cyclopropyl-2-(thiophen-2-ylmethylamino)acetate (CID 61310739) is ethyl 2-cyclopropyl-2-(thiophen-2-ylmethylamino)acetate.
What is the SMILES notation for ethyl 2-cyclopropyl-2-(thiophen-2-ylmethylamino)acetate?
The canonical SMILES for ethyl 2-cyclopropyl-2-(thiophen-2-ylmethylamino)acetate is CCOC(=O)C(NCc1cccs1)C1CC1.
What is the InChIKey of ethyl 2-cyclopropyl-2-(thiophen-2-ylmethylamino)acetate?
The InChIKey is MNQMPFOLJJPBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-2-15-12(14)11(9-5-6-9)13-8-10-4-3-7-16-10/h3-4,7,9,11,13H,2,5-6,8H2,1H3.
What are the key properties of ethyl 2-cyclopropyl-2-(thiophen-2-ylmethylamino)acetate?
ethyl 2-cyclopropyl-2-(thiophen-2-ylmethylamino)acetate has a molecular weight of 239.34 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropyl-2-(thiophen-2-ylmethylamino)acetate is sourced from PubChem (CID 61310739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).