2-(3-ethoxypropylamino)-1-thiophen-2-ylethanone

C11H17NO2S — CID 82102123

IUPAC2-(3-ethoxypropylamino)-1-thiophen-2-ylethanone
SMILESCCOCCCNCC(=O)c1cccs1
InChIInChI=1S/C11H17NO2S/c1-2-14-7-4-6-12-9-10(13)11-5-3-8-15-11/h3,5,8,12H,2,4,6-7,9H2,1H3
InChIKeyJOUVVFVUAOKPEB-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.95
Rot. Bonds8

About 2-(3-ethoxypropylamino)-1-thiophen-2-ylethanone

2-(3-ethoxypropylamino)-1-thiophen-2-ylethanone (PubChem CID 82102123) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-(3-ethoxypropylamino)-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(3-ethoxypropylamino)-1-thiophen-2-ylethanone
PubChem CID82102123
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name2-(3-ethoxypropylamino)-1-thiophen-2-ylethanone
SMILESCCOCCCNCC(=O)c1cccs1
InChIInChI=1S/C11H17NO2S/c1-2-14-7-4-6-12-9-10(13)11-5-3-8-15-11/h3,5,8,12H,2,4,6-7,9H2,1H3
InChIKeyJOUVVFVUAOKPEB-UHFFFAOYSA-N
XLogP1.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.95
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

2-ethoxy-1-thiophen-2-ylethanone
CID 43799570
1-(4-chlorophenyl)-2-(3-ethoxypropylamino)ethanone
CID 82101457
4-pentoxy-1-thiophen-2-ylbutan-1-one
CID 43793850
4-(2-propoxyethoxy)-1-thiophen-2-ylbutan-1-one
CID 63686952
2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanone
CID 82101367
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-thiophen-2-ylbutan-1-one
CID 104563857
1-thiophen-2-ylpropan-1-one
CID 26179
4-pent-4-enoxy-1-thiophen-2-ylbutan-1-one
CID 79113092
N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide
CID 60715014
N,N-diethyl-3-oxo-3-thiophen-2-ylpropanamide
CID 22925217
1-(3-amino-4-ethoxyphenyl)-2-(3-ethoxypropylamino)ethanone
CID 82258588
ethyl 5-oxo-5-thiophen-2-ylpentanoate
CID 94259951

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropylamino)-1-thiophen-2-ylethanone?
The IUPAC name of 2-(3-ethoxypropylamino)-1-thiophen-2-ylethanone (CID 82102123) is 2-(3-ethoxypropylamino)-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(3-ethoxypropylamino)-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(3-ethoxypropylamino)-1-thiophen-2-ylethanone is CCOCCCNCC(=O)c1cccs1.
What is the InChIKey of 2-(3-ethoxypropylamino)-1-thiophen-2-ylethanone?
The InChIKey is JOUVVFVUAOKPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-2-14-7-4-6-12-9-10(13)11-5-3-8-15-11/h3,5,8,12H,2,4,6-7,9H2,1H3.
What are the key properties of 2-(3-ethoxypropylamino)-1-thiophen-2-ylethanone?
2-(3-ethoxypropylamino)-1-thiophen-2-ylethanone has a molecular weight of 227.33 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropylamino)-1-thiophen-2-ylethanone is sourced from PubChem (CID 82102123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).