1-(2-aminoethoxy)-3-thiophen-3-ylpropan-2-one

C9H13NO2S — CID 116591013

IUPAC1-(2-aminoethoxy)-3-thiophen-3-ylpropan-2-one
SMILESNCCOCC(=O)Cc1ccsc1
InChIInChI=1S/C9H13NO2S/c10-2-3-12-6-9(11)5-8-1-4-13-7-8/h1,4,7H,2-3,5-6,10H2
InChIKeyIHYFEWSNUWWJPS-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.83
Rot. Bonds6

About 1-(2-aminoethoxy)-3-thiophen-3-ylpropan-2-one

1-(2-aminoethoxy)-3-thiophen-3-ylpropan-2-one (PubChem CID 116591013) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is 1-(2-aminoethoxy)-3-thiophen-3-ylpropan-2-one.

Molecular Properties

Compound Name1-(2-aminoethoxy)-3-thiophen-3-ylpropan-2-one
PubChem CID116591013
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name1-(2-aminoethoxy)-3-thiophen-3-ylpropan-2-one
SMILESNCCOCC(=O)Cc1ccsc1
InChIInChI=1S/C9H13NO2S/c10-2-3-12-6-9(11)5-8-1-4-13-7-8/h1,4,7H,2-3,5-6,10H2
InChIKeyIHYFEWSNUWWJPS-UHFFFAOYSA-N
XLogP0.83
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.83
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)-4-thiophen-3-ylbutan-2-one
CID 116590981
2-(thiophen-3-ylmethoxy)ethanamine
CID 62343609
1-(2-aminoethoxy)-3-(3-hydroxyphenyl)propan-2-one
CID 116590839
1-(2-aminoethoxy)-3-(3,5-difluorophenyl)propan-2-one
CID 105412017
1-(2-aminoethoxy)-3-(4-propan-2-ylphenyl)propan-2-one
CID 116591045
1-(2-aminoethoxy)-3-(3-methoxyphenyl)propan-2-one
CID 116590894
1-(4-fluorophenyl)-3-thiophen-3-ylpropan-2-one
CID 62622073
1,1-difluoro-3-thiophen-3-ylpropan-2-one
CID 61055642
1,1,1-trifluoro-3-thiophen-3-ylpropan-2-one
CID 14399209
4-amino-5-methyl-1-thiophen-3-ylhexan-2-one
CID 116606372
3-amino-4-methoxy-1-thiophen-3-ylbutan-2-one
CID 116594135
1-(2,5-difluorophenyl)-3-thiophen-3-ylpropan-2-one
CID 105082505

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethoxy)-3-thiophen-3-ylpropan-2-one?
The IUPAC name of 1-(2-aminoethoxy)-3-thiophen-3-ylpropan-2-one (CID 116591013) is 1-(2-aminoethoxy)-3-thiophen-3-ylpropan-2-one.
What is the SMILES notation for 1-(2-aminoethoxy)-3-thiophen-3-ylpropan-2-one?
The canonical SMILES for 1-(2-aminoethoxy)-3-thiophen-3-ylpropan-2-one is NCCOCC(=O)Cc1ccsc1.
What is the InChIKey of 1-(2-aminoethoxy)-3-thiophen-3-ylpropan-2-one?
The InChIKey is IHYFEWSNUWWJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c10-2-3-12-6-9(11)5-8-1-4-13-7-8/h1,4,7H,2-3,5-6,10H2.
What are the key properties of 1-(2-aminoethoxy)-3-thiophen-3-ylpropan-2-one?
1-(2-aminoethoxy)-3-thiophen-3-ylpropan-2-one has a molecular weight of 199.28 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethoxy)-3-thiophen-3-ylpropan-2-one is sourced from PubChem (CID 116591013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).