ethyl 2-(thiophen-2-ylmethylamino)hexanoate

C13H21NO2S — CID 61353160

IUPACethyl 2-(thiophen-2-ylmethylamino)hexanoate
SMILESCCCCC(NCc1cccs1)C(=O)OCC
InChIInChI=1S/C13H21NO2S/c1-3-5-8-12(13(15)16-4-2)14-10-11-7-6-9-17-11/h6-7,9,12,14H,3-5,8,10H2,1-2H3
InChIKeyWEYQEDKIIAQELJ-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.96
Rot. Bonds8

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

ethyl 2-(thiophen-2-ylmethylamino)hexanoate (PubChem CID 61353160) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is ethyl 2-(thiophen-2-ylmethylamino)hexanoate.

Molecular Properties

Compound Nameethyl 2-(thiophen-2-ylmethylamino)hexanoate
PubChem CID61353160
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Nameethyl 2-(thiophen-2-ylmethylamino)hexanoate
SMILESCCCCC(NCc1cccs1)C(=O)OCC
InChIInChI=1S/C13H21NO2S/c1-3-5-8-12(13(15)16-4-2)14-10-11-7-6-9-17-11/h6-7,9,12,14H,3-5,8,10H2,1-2H3
InChIKeyWEYQEDKIIAQELJ-UHFFFAOYSA-N
XLogP2.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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 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
2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine
CID 65379566
ethyl 2-thiophen-3-yl-2-(thiophen-2-ylmethylamino)acetate
CID 54895068
ethyl 2-(1,3-thiazol-5-ylmethylamino)pentanoate
CID 104589369
methyl (2S)-3-phenyl-2-(thiophen-2-ylmethylamino)propanoate
CID 59107325
methyl 3-phenyl-2-(thiophen-2-ylmethylamino)propanoate
CID 60680037
ethyl 2-(4-bromo-5-methylthiophen-2-yl)-2-(thiophen-2-ylmethylamino)acetate
CID 102840934

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(thiophen-2-ylmethylamino)hexanoate?
The IUPAC name of ethyl 2-(thiophen-2-ylmethylamino)hexanoate (CID 61353160) is ethyl 2-(thiophen-2-ylmethylamino)hexanoate.
What is the SMILES notation for ethyl 2-(thiophen-2-ylmethylamino)hexanoate?
The canonical SMILES for ethyl 2-(thiophen-2-ylmethylamino)hexanoate is CCCCC(NCc1cccs1)C(=O)OCC.
What is the InChIKey of ethyl 2-(thiophen-2-ylmethylamino)hexanoate?
The InChIKey is WEYQEDKIIAQELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-3-5-8-12(13(15)16-4-2)14-10-11-7-6-9-17-11/h6-7,9,12,14H,3-5,8,10H2,1-2H3.
What are the key properties of ethyl 2-(thiophen-2-ylmethylamino)hexanoate?
ethyl 2-(thiophen-2-ylmethylamino)hexanoate has a molecular weight of 255.38 g/mol, XLogP of 2.96, 8 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)hexanoate is sourced from PubChem (CID 61353160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).