ethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pentanoate

C15H25NO2S — CID 79040990

IUPACethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pentanoate
SMILESCCCC(NCC(C)(C)c1cccs1)C(=O)OCC
InChIInChI=1S/C15H25NO2S/c1-5-8-12(14(17)18-6-2)16-11-15(3,4)13-9-7-10-19-13/h7,9-10,12,16H,5-6,8,11H2,1-4H3
InChIKeyMMNAAXBZIJVKSW-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.35
Rot. Bonds8

About ethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pentanoate

ethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pentanoate (PubChem CID 79040990) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is ethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pentanoate.

Molecular Properties

Compound Nameethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pentanoate
PubChem CID79040990
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Nameethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pentanoate
SMILESCCCC(NCC(C)(C)c1cccs1)C(=O)OCC
InChIInChI=1S/C15H25NO2S/c1-5-8-12(14(17)18-6-2)16-11-15(3,4)13-9-7-10-19-13/h7,9-10,12,16H,5-6,8,11H2,1-4H3
InChIKeyMMNAAXBZIJVKSW-UHFFFAOYSA-N
XLogP3.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pentanoate?
The IUPAC name of ethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pentanoate (CID 79040990) is ethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pentanoate.
What is the SMILES notation for ethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pentanoate?
The canonical SMILES for ethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pentanoate is CCCC(NCC(C)(C)c1cccs1)C(=O)OCC.
What is the InChIKey of ethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pentanoate?
The InChIKey is MMNAAXBZIJVKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-5-8-12(14(17)18-6-2)16-11-15(3,4)13-9-7-10-19-13/h7,9-10,12,16H,5-6,8,11H2,1-4H3.
What are the key properties of ethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pentanoate?
ethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pentanoate has a molecular weight of 283.44 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pentanoate is sourced from PubChem (CID 79040990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).