ethyl 2-(thiophen-2-ylmethylamino)nonanoate

C16H27NO2S — CID 63523767

IUPACethyl 2-(thiophen-2-ylmethylamino)nonanoate
SMILESCCCCCCCC(NCc1cccs1)C(=O)OCC
InChIInChI=1S/C16H27NO2S/c1-3-5-6-7-8-11-15(16(18)19-4-2)17-13-14-10-9-12-20-14/h9-10,12,15,17H,3-8,11,13H2,1-2H3
InChIKeyINMWUEUMOMATNC-UHFFFAOYSA-N
MW297.46 g/mol
LogP4.13
Rot. Bonds11

About ethyl 2-(thiophen-2-ylmethylamino)nonanoate

ethyl 2-(thiophen-2-ylmethylamino)nonanoate (PubChem CID 63523767) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is ethyl 2-(thiophen-2-ylmethylamino)nonanoate.

Molecular Properties

Compound Nameethyl 2-(thiophen-2-ylmethylamino)nonanoate
PubChem CID63523767
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC Nameethyl 2-(thiophen-2-ylmethylamino)nonanoate
SMILESCCCCCCCC(NCc1cccs1)C(=O)OCC
InChIInChI=1S/C16H27NO2S/c1-3-5-6-7-8-11-15(16(18)19-4-2)17-13-14-10-9-12-20-14/h9-10,12,15,17H,3-8,11,13H2,1-2H3
InChIKeyINMWUEUMOMATNC-UHFFFAOYSA-N
XLogP4.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 54.13
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

ethyl 2-(thiophen-2-ylmethylamino)heptanoate
CID 54895021
ethyl 2-(thiophen-2-ylmethylamino)hexanoate
CID 61353160
ethyl 4-phenyl-2-(thiophen-2-ylmethylamino)butanoate
CID 62881288
ethyl 3-methyl-2-(thiophen-2-ylmethylamino)pentanoate
CID 61319361
methyl 4-phenyl-2-(thiophen-2-ylmethylamino)butanoate
CID 62881287
ethyl 2-cyclopropyl-2-(thiophen-2-ylmethylamino)acetate
CID 61310739
ethyl 2-thiophen-3-yl-2-(thiophen-2-ylmethylamino)acetate
CID 54895068
2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine
CID 65379566
ethyl (2R)-2-anilinotridecanoate
CID 155931058
ethyl N-(thiophen-2-ylmethylcarbamothioyl)carbamate
CID 2824600
methyl 2-thiophen-2-yloctanoate
CID 67745736
ethyl 2-(1,3-thiazol-5-ylmethylamino)pentanoate
CID 104589369

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(thiophen-2-ylmethylamino)nonanoate?
The IUPAC name of ethyl 2-(thiophen-2-ylmethylamino)nonanoate (CID 63523767) is ethyl 2-(thiophen-2-ylmethylamino)nonanoate.
What is the SMILES notation for ethyl 2-(thiophen-2-ylmethylamino)nonanoate?
The canonical SMILES for ethyl 2-(thiophen-2-ylmethylamino)nonanoate is CCCCCCCC(NCc1cccs1)C(=O)OCC.
What is the InChIKey of ethyl 2-(thiophen-2-ylmethylamino)nonanoate?
The InChIKey is INMWUEUMOMATNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-3-5-6-7-8-11-15(16(18)19-4-2)17-13-14-10-9-12-20-14/h9-10,12,15,17H,3-8,11,13H2,1-2H3.
What are the key properties of ethyl 2-(thiophen-2-ylmethylamino)nonanoate?
ethyl 2-(thiophen-2-ylmethylamino)nonanoate has a molecular weight of 297.46 g/mol, XLogP of 4.13, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(thiophen-2-ylmethylamino)nonanoate is sourced from PubChem (CID 63523767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).