ethyl 4-(2-thiophen-3-ylethylamino)butanoate

C12H19NO2S — CID 64579329

IUPACethyl 4-(2-thiophen-3-ylethylamino)butanoate
SMILESCCOC(=O)CCCNCCc1ccsc1
InChIInChI=1S/C12H19NO2S/c1-2-15-12(14)4-3-7-13-8-5-11-6-9-16-10-11/h6,9-10,13H,2-5,7-8H2,1H3
InChIKeyZVDMZCDUHLWGJD-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.22
Rot. Bonds8

About ethyl 4-(2-thiophen-3-ylethylamino)butanoate

ethyl 4-(2-thiophen-3-ylethylamino)butanoate (PubChem CID 64579329) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is ethyl 4-(2-thiophen-3-ylethylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(2-thiophen-3-ylethylamino)butanoate
PubChem CID64579329
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Nameethyl 4-(2-thiophen-3-ylethylamino)butanoate
SMILESCCOC(=O)CCCNCCc1ccsc1
InChIInChI=1S/C12H19NO2S/c1-2-15-12(14)4-3-7-13-8-5-11-6-9-16-10-11/h6,9-10,13H,2-5,7-8H2,1H3
InChIKeyZVDMZCDUHLWGJD-UHFFFAOYSA-N
XLogP2.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(2-thiophen-3-ylethylamino)butanoate
CID 61473778
N-(2-thiophen-3-ylethyl)butan-1-amine
CID 60751767
N,N-diethyl-3-(2-thiophen-3-ylethylamino)propanamide
CID 113411312
N-(2-thiophen-3-ylethyl)decan-1-amine
CID 55194660
3-propoxy-N-(2-thiophen-3-ylethyl)propan-1-amine
CID 82939993
[2-(ethoxycarbonylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8654437
ethyl 4-[(4-methylphenyl)methylamino]butanoate
CID 60687567
ethyl 4-(propylamino)butanoate;hydrochloride
CID 88662585
N-carbamoyl-2-(2-thiophen-3-ylethylamino)acetamide
CID 60976114
N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 62529819
3-[(4-ethoxy-4-oxobutyl)amino]propanoic acid
CID 64579324
ethyl 4-(4-hydroxybutylamino)butanoate
CID 64580289

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-thiophen-3-ylethylamino)butanoate?
The IUPAC name of ethyl 4-(2-thiophen-3-ylethylamino)butanoate (CID 64579329) is ethyl 4-(2-thiophen-3-ylethylamino)butanoate.
What is the SMILES notation for ethyl 4-(2-thiophen-3-ylethylamino)butanoate?
The canonical SMILES for ethyl 4-(2-thiophen-3-ylethylamino)butanoate is CCOC(=O)CCCNCCc1ccsc1.
What is the InChIKey of ethyl 4-(2-thiophen-3-ylethylamino)butanoate?
The InChIKey is ZVDMZCDUHLWGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-2-15-12(14)4-3-7-13-8-5-11-6-9-16-10-11/h6,9-10,13H,2-5,7-8H2,1H3.
What are the key properties of ethyl 4-(2-thiophen-3-ylethylamino)butanoate?
ethyl 4-(2-thiophen-3-ylethylamino)butanoate has a molecular weight of 241.36 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-thiophen-3-ylethylamino)butanoate is sourced from PubChem (CID 64579329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).