4-(2-hydroxyethylamino)-1-thiophen-2-ylbutan-1-one

C10H15NO2S — CID 3072334

IUPAC4-(2-hydroxyethylamino)-1-thiophen-2-ylbutan-1-one
SMILESO=C(CCCNCCO)c1cccs1
InChIInChI=1S/C10H15NO2S/c12-7-6-11-5-1-3-9(13)10-4-2-8-14-10/h2,4,8,11-12H,1,3,5-7H2
InChIKeyXTUROKYLQLGFAQ-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.29
Rot. Bonds7

About 4-(2-hydroxyethylamino)-1-thiophen-2-ylbutan-1-one

4-(2-hydroxyethylamino)-1-thiophen-2-ylbutan-1-one (PubChem CID 3072334) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 4-(2-hydroxyethylamino)-1-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name4-(2-hydroxyethylamino)-1-thiophen-2-ylbutan-1-one
PubChem CID3072334
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name4-(2-hydroxyethylamino)-1-thiophen-2-ylbutan-1-one
SMILESO=C(CCCNCCO)c1cccs1
InChIInChI=1S/C10H15NO2S/c12-7-6-11-5-1-3-9(13)10-4-2-8-14-10/h2,4,8,11-12H,1,3,5-7H2
InChIKeyXTUROKYLQLGFAQ-UHFFFAOYSA-N
XLogP1.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

gamma-(2-Aminoethylamino)-2-butryothienone
CID 126103
3-[2-Hydroxyethyl(propan-2-yl)amino]-1-thiophen-2-ylpropan-1-one
CID 46231872
3-[Bis(2-hydroxyethyl)amino]-1-thiophen-2-ylpropan-1-one
CID 46231874
3-[Tert-butyl(2-hydroxyethyl)amino]-1-thiophen-2-ylpropan-1-one
CID 46231875
3-[2-Hydroxyethyl(methyl)amino]-1-thiophen-2-ylpropan-1-one
CID 46231876
Propionamide, N-(3-hydroxypropyl)-3-(2-thienylcarbonyl)-
CID 3045051
1-Butanone, 4-((2-hydroxyethyl)amino)-1-(3-methyl-2-thienyl)-
CID 3072335
1-Butanone, 4-((2-hydroxyethyl)methylamino)-1-(2-thienyl)-
CID 3072336
1-Butanone, 4-((2-hydroxypropyl)amino)-1-(2-thienyl)-
CID 3072337
3-[Butyl(2-hydroxyethyl)amino]-1-thiophen-2-ylpropan-1-one
CID 46231873
1-Propanone, 3-(methylamino)-1-(2-thienyl)-, hydrochloride (1:1)
CID 10035872
3-(Methylamino)-1-(thiophen-2-yl)propan-1-one
CID 10035873

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylamino)-1-thiophen-2-ylbutan-1-one?
The IUPAC name of 4-(2-hydroxyethylamino)-1-thiophen-2-ylbutan-1-one (CID 3072334) is 4-(2-hydroxyethylamino)-1-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 4-(2-hydroxyethylamino)-1-thiophen-2-ylbutan-1-one?
The canonical SMILES for 4-(2-hydroxyethylamino)-1-thiophen-2-ylbutan-1-one is O=C(CCCNCCO)c1cccs1.
What is the InChIKey of 4-(2-hydroxyethylamino)-1-thiophen-2-ylbutan-1-one?
The InChIKey is XTUROKYLQLGFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c12-7-6-11-5-1-3-9(13)10-4-2-8-14-10/h2,4,8,11-12H,1,3,5-7H2.
What are the key properties of 4-(2-hydroxyethylamino)-1-thiophen-2-ylbutan-1-one?
4-(2-hydroxyethylamino)-1-thiophen-2-ylbutan-1-one has a molecular weight of 213.30 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylamino)-1-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 3072334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).