2-thiophen-2-ylethyl 2-(prop-2-enylamino)acetate

C11H15NO2S — CID 79275664

IUPAC2-thiophen-2-ylethyl 2-(prop-2-enylamino)acetate
SMILESC=CCNCC(=O)OCCc1cccs1
InChIInChI=1S/C11H15NO2S/c1-2-6-12-9-11(13)14-7-5-10-4-3-8-15-10/h2-4,8,12H,1,5-7,9H2
InChIKeyBQZQFMZPGLGQDF-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.61
Rot. Bonds7

About 2-thiophen-2-ylethyl 2-(prop-2-enylamino)acetate

2-thiophen-2-ylethyl 2-(prop-2-enylamino)acetate (PubChem CID 79275664) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-thiophen-2-ylethyl 2-(prop-2-enylamino)acetate.

Molecular Properties

Compound Name2-thiophen-2-ylethyl 2-(prop-2-enylamino)acetate
PubChem CID79275664
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name2-thiophen-2-ylethyl 2-(prop-2-enylamino)acetate
SMILESC=CCNCC(=O)OCCc1cccs1
InChIInChI=1S/C11H15NO2S/c1-2-6-12-9-11(13)14-7-5-10-4-3-8-15-10/h2-4,8,12H,1,5-7,9H2
InChIKeyBQZQFMZPGLGQDF-UHFFFAOYSA-N
XLogP1.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(prop-2-enylamino)-4-thiophen-2-ylbutan-2-one
CID 116589779
N-prop-2-enyl-2-(2-thiophen-2-ylethoxy)propan-1-amine
CID 62583502
N-benzyl-2-(prop-2-enylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 4573039
2-thiophen-2-ylethyl 4-amino-3-hydroxy-3-methylbutanoate
CID 66000795
2-thiophen-2-ylethyl (2R)-2-amino-3-hydroxypropanoate
CID 80751501
1-prop-2-enyl-3-(thiophen-2-ylmethyl)urea
CID 110706901
2-(2-thiophen-2-ylethoxy)acetohydrazide
CID 63571119
2-thiophen-2-ylethyl 3-amino-2-methylpropanoate
CID 62669004
2-phenylethyl 4-thiophen-2-ylbutanoate
CID 78830677
(2-chlorophenyl)methyl 2-(prop-2-enylamino)acetate
CID 79276973
2-propanoyloxyethyl 3-oxo-5-thiophen-2-ylpentanoate
CID 174636106
2-thiophen-2-ylethyl 3-piperidin-2-ylpropanoate
CID 62217215

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylethyl 2-(prop-2-enylamino)acetate?
The IUPAC name of 2-thiophen-2-ylethyl 2-(prop-2-enylamino)acetate (CID 79275664) is 2-thiophen-2-ylethyl 2-(prop-2-enylamino)acetate.
What is the SMILES notation for 2-thiophen-2-ylethyl 2-(prop-2-enylamino)acetate?
The canonical SMILES for 2-thiophen-2-ylethyl 2-(prop-2-enylamino)acetate is C=CCNCC(=O)OCCc1cccs1.
What is the InChIKey of 2-thiophen-2-ylethyl 2-(prop-2-enylamino)acetate?
The InChIKey is BQZQFMZPGLGQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-2-6-12-9-11(13)14-7-5-10-4-3-8-15-10/h2-4,8,12H,1,5-7,9H2.
What are the key properties of 2-thiophen-2-ylethyl 2-(prop-2-enylamino)acetate?
2-thiophen-2-ylethyl 2-(prop-2-enylamino)acetate has a molecular weight of 225.31 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylethyl 2-(prop-2-enylamino)acetate is sourced from PubChem (CID 79275664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).