1-(2-aminoethoxy)-4-thiophen-3-ylbutan-2-one

C10H15NO2S — CID 116590981

IUPAC1-(2-aminoethoxy)-4-thiophen-3-ylbutan-2-one
SMILESNCCOCC(=O)CCc1ccsc1
InChIInChI=1S/C10H15NO2S/c11-4-5-13-7-10(12)2-1-9-3-6-14-8-9/h3,6,8H,1-2,4-5,7,11H2
InChIKeyMDKHNRAMWGYTSR-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.23
Rot. Bonds7

About 1-(2-aminoethoxy)-4-thiophen-3-ylbutan-2-one

1-(2-aminoethoxy)-4-thiophen-3-ylbutan-2-one (PubChem CID 116590981) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 1-(2-aminoethoxy)-4-thiophen-3-ylbutan-2-one.

Molecular Properties

Compound Name1-(2-aminoethoxy)-4-thiophen-3-ylbutan-2-one
PubChem CID116590981
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name1-(2-aminoethoxy)-4-thiophen-3-ylbutan-2-one
SMILESNCCOCC(=O)CCc1ccsc1
InChIInChI=1S/C10H15NO2S/c11-4-5-13-7-10(12)2-1-9-3-6-14-8-9/h3,6,8H,1-2,4-5,7,11H2
InChIKeyMDKHNRAMWGYTSR-UHFFFAOYSA-N
XLogP1.23
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.23
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

1-(2-aminoethoxy)-3-thiophen-3-ylpropan-2-one
CID 116591013
2-(thiophen-3-ylmethoxy)ethanamine
CID 62343609
1-(2,2-difluoroethoxy)-5-thiophen-3-ylpentan-3-one
CID 103147032
1-[4-(2-aminoethyl)phenyl]-3-thiophen-3-ylpropan-1-one
CID 116577708
5-thiophen-3-ylpentanamide
CID 11171370
1-(1,3-dioxolan-2-yl)-4-thiophen-3-ylbutan-2-one
CID 103543685
[2-(ethoxycarbonylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8654437
1-(4-aminophenyl)-3-thiophen-3-ylpropan-1-one
CID 116548804
2-thiophen-3-ylethyl 2-bromo-2-methylpropanoate
CID 86077032
[2-(2,6-difluoroanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8610869
methyl 3-[2-methoxyethyl(2-thiophen-3-ylethyl)amino]propanoate
CID 78959784
1-(cyclopropylamino)-5-thiophen-3-ylpentan-3-one
CID 116559357

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethoxy)-4-thiophen-3-ylbutan-2-one?
The IUPAC name of 1-(2-aminoethoxy)-4-thiophen-3-ylbutan-2-one (CID 116590981) is 1-(2-aminoethoxy)-4-thiophen-3-ylbutan-2-one.
What is the SMILES notation for 1-(2-aminoethoxy)-4-thiophen-3-ylbutan-2-one?
The canonical SMILES for 1-(2-aminoethoxy)-4-thiophen-3-ylbutan-2-one is NCCOCC(=O)CCc1ccsc1.
What is the InChIKey of 1-(2-aminoethoxy)-4-thiophen-3-ylbutan-2-one?
The InChIKey is MDKHNRAMWGYTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c11-4-5-13-7-10(12)2-1-9-3-6-14-8-9/h3,6,8H,1-2,4-5,7,11H2.
What are the key properties of 1-(2-aminoethoxy)-4-thiophen-3-ylbutan-2-one?
1-(2-aminoethoxy)-4-thiophen-3-ylbutan-2-one has a molecular weight of 213.30 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethoxy)-4-thiophen-3-ylbutan-2-one is sourced from PubChem (CID 116590981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).