ethyl 2-(1-thiophen-2-ylbutylamino)butanoate

C14H23NO2S — CID 64668989

IUPACethyl 2-(1-thiophen-2-ylbutylamino)butanoate
SMILESCCCC(NC(CC)C(=O)OCC)c1cccs1
InChIInChI=1S/C14H23NO2S/c1-4-8-12(13-9-7-10-18-13)15-11(5-2)14(16)17-6-3/h7,9-12,15H,4-6,8H2,1-3H3
InChIKeyBDKHWDUXUNCLHI-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.52
Rot. Bonds8

About ethyl 2-(1-thiophen-2-ylbutylamino)butanoate

ethyl 2-(1-thiophen-2-ylbutylamino)butanoate (PubChem CID 64668989) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is ethyl 2-(1-thiophen-2-ylbutylamino)butanoate.

Molecular Properties

Compound Nameethyl 2-(1-thiophen-2-ylbutylamino)butanoate
PubChem CID64668989
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Nameethyl 2-(1-thiophen-2-ylbutylamino)butanoate
SMILESCCCC(NC(CC)C(=O)OCC)c1cccs1
InChIInChI=1S/C14H23NO2S/c1-4-8-12(13-9-7-10-18-13)15-11(5-2)14(16)17-6-3/h7,9-12,15H,4-6,8H2,1-3H3
InChIKeyBDKHWDUXUNCLHI-UHFFFAOYSA-N
XLogP3.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-sulfanylidene-N-(1-thiophen-2-ylbutyl)propanamide
CID 55134581
3-methyl-2-(1-thiophen-2-ylbutylamino)butanoic acid
CID 103244536
2-(aminomethyl)-N-(1-thiophen-2-ylbutyl)butanamide
CID 65229248
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047
3-oxo-3-(1-thiophen-2-ylbutylamino)propanoic acid
CID 62231148
2,2-difluoro-N-(1-thiophen-2-ylbutyl)acetamide
CID 103515707
2-methyl-3-(methylamino)-N-(1-thiophen-2-ylbutyl)propanamide
CID 79203080
5-amino-2-methyl-N-(1-thiophen-2-ylbutyl)pentanamide
CID 104684884
5-methyl-N-(1-thiophen-2-ylbutyl)hexan-2-amine
CID 63456390
2-methyl-2-(1-thiophen-2-ylbutylamino)propanoic acid
CID 114996883
2-bromo-N-(1-thiophen-2-ylbutyl)propanamide
CID 107904985
methyl 4-(1-thiophen-2-ylbutylamino)butanoate
CID 54962891

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-thiophen-2-ylbutylamino)butanoate?
The IUPAC name of ethyl 2-(1-thiophen-2-ylbutylamino)butanoate (CID 64668989) is ethyl 2-(1-thiophen-2-ylbutylamino)butanoate.
What is the SMILES notation for ethyl 2-(1-thiophen-2-ylbutylamino)butanoate?
The canonical SMILES for ethyl 2-(1-thiophen-2-ylbutylamino)butanoate is CCCC(NC(CC)C(=O)OCC)c1cccs1.
What is the InChIKey of ethyl 2-(1-thiophen-2-ylbutylamino)butanoate?
The InChIKey is BDKHWDUXUNCLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-4-8-12(13-9-7-10-18-13)15-11(5-2)14(16)17-6-3/h7,9-12,15H,4-6,8H2,1-3H3.
What are the key properties of ethyl 2-(1-thiophen-2-ylbutylamino)butanoate?
ethyl 2-(1-thiophen-2-ylbutylamino)butanoate has a molecular weight of 269.41 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-thiophen-2-ylbutylamino)butanoate is sourced from PubChem (CID 64668989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).