ethyl 2-[propyl(thiophen-2-ylmethyl)amino]acetate

C12H19NO2S — CID 62027701

IUPACethyl 2-[propyl(thiophen-2-ylmethyl)amino]acetate
SMILESCCCN(CC(=O)OCC)Cc1cccs1
InChIInChI=1S/C12H19NO2S/c1-3-7-13(10-12(14)15-4-2)9-11-6-5-8-16-11/h5-6,8H,3-4,7,9-10H2,1-2H3
InChIKeyLQNCWSDMZPSRBB-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.52
Rot. Bonds7

About ethyl 2-[propyl(thiophen-2-ylmethyl)amino]acetate

ethyl 2-[propyl(thiophen-2-ylmethyl)amino]acetate (PubChem CID 62027701) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is ethyl 2-[propyl(thiophen-2-ylmethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[propyl(thiophen-2-ylmethyl)amino]acetate
PubChem CID62027701
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Nameethyl 2-[propyl(thiophen-2-ylmethyl)amino]acetate
SMILESCCCN(CC(=O)OCC)Cc1cccs1
InChIInChI=1S/C12H19NO2S/c1-3-7-13(10-12(14)15-4-2)9-11-6-5-8-16-11/h5-6,8H,3-4,7,9-10H2,1-2H3
InChIKeyLQNCWSDMZPSRBB-UHFFFAOYSA-N
XLogP2.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[propyl(thiophen-2-ylmethyl)amino]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

N-hydroxy-2-[propyl(thiophen-2-ylmethyl)amino]acetamide
CID 59105569
ethyl 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetate
CID 60673442
ethyl 2-[(4-bromothiophen-2-yl)methyl-propylamino]acetate
CID 62026565
ethyl 2-[methyl(3-thiophen-2-ylpropanoyl)amino]acetate
CID 55003743
ethyl 2-[bis(thiophen-2-ylmethyl)amino]-2-oxoacetate
CID 166273196
2-[pentyl(thiophen-2-ylmethyl)amino]acetic acid
CID 175704817
ethyl N-phenyl-N-(thiophen-2-ylmethyl)carbamate
CID 91149975
ethyl 2-[furan-3-ylmethyl(propyl)amino]acetate
CID 83057034
ethyl 2-[(4-bromophenyl)sulfonyl-(thiophen-2-ylmethyl)amino]acetate
CID 4171321
2-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]acetic acid
CID 107425908
ethyl 2-(thiophen-2-ylmethoxy)acetate
CID 60730801
ethyl 2-(thionin-2-yl)acetate
CID 174897632

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[propyl(thiophen-2-ylmethyl)amino]acetate?
The IUPAC name of ethyl 2-[propyl(thiophen-2-ylmethyl)amino]acetate (CID 62027701) is ethyl 2-[propyl(thiophen-2-ylmethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[propyl(thiophen-2-ylmethyl)amino]acetate?
The canonical SMILES for ethyl 2-[propyl(thiophen-2-ylmethyl)amino]acetate is CCCN(CC(=O)OCC)Cc1cccs1.
What is the InChIKey of ethyl 2-[propyl(thiophen-2-ylmethyl)amino]acetate?
The InChIKey is LQNCWSDMZPSRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-3-7-13(10-12(14)15-4-2)9-11-6-5-8-16-11/h5-6,8H,3-4,7,9-10H2,1-2H3.
What are the key properties of ethyl 2-[propyl(thiophen-2-ylmethyl)amino]acetate?
ethyl 2-[propyl(thiophen-2-ylmethyl)amino]acetate has a molecular weight of 241.36 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[propyl(thiophen-2-ylmethyl)amino]acetate is sourced from PubChem (CID 62027701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).