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

C11H17NO2S — CID 3072337

IUPAC4-(2-hydroxypropylamino)-1-thiophen-2-ylbutan-1-one
SMILESCC(O)CNCCCC(=O)c1cccs1
InChIInChI=1S/C11H17NO2S/c1-9(13)8-12-6-2-4-10(14)11-5-3-7-15-11/h3,5,7,9,12-13H,2,4,6,8H2,1H3
InChIKeyNNOUAKBRQRKVDS-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.68
Rot. Bonds7

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

4-(2-hydroxypropylamino)-1-thiophen-2-ylbutan-1-one (PubChem CID 3072337) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-(2-hydroxypropylamino)-1-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name4-(2-hydroxypropylamino)-1-thiophen-2-ylbutan-1-one
PubChem CID3072337
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name4-(2-hydroxypropylamino)-1-thiophen-2-ylbutan-1-one
SMILESCC(O)CNCCCC(=O)c1cccs1
InChIInChI=1S/C11H17NO2S/c1-9(13)8-12-6-2-4-10(14)11-5-3-7-15-11/h3,5,7,9,12-13H,2,4,6,8H2,1H3
InChIKeyNNOUAKBRQRKVDS-UHFFFAOYSA-N
XLogP1.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.68
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-(2-thienyl)-
CID 3072334
1-Butanone, 4-((2-hydroxyethyl)amino)-1-(3-methyl-2-thienyl)-
CID 3072335
1-Butanone, 4-((2-hydroxyethyl)methylamino)-1-(2-thienyl)-
CID 3072336
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-hydroxypropylamino)-1-thiophen-2-ylbutan-1-one?
The IUPAC name of 4-(2-hydroxypropylamino)-1-thiophen-2-ylbutan-1-one (CID 3072337) is 4-(2-hydroxypropylamino)-1-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 4-(2-hydroxypropylamino)-1-thiophen-2-ylbutan-1-one?
The canonical SMILES for 4-(2-hydroxypropylamino)-1-thiophen-2-ylbutan-1-one is CC(O)CNCCCC(=O)c1cccs1.
What is the InChIKey of 4-(2-hydroxypropylamino)-1-thiophen-2-ylbutan-1-one?
The InChIKey is NNOUAKBRQRKVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-9(13)8-12-6-2-4-10(14)11-5-3-7-15-11/h3,5,7,9,12-13H,2,4,6,8H2,1H3.
What are the key properties of 4-(2-hydroxypropylamino)-1-thiophen-2-ylbutan-1-one?
4-(2-hydroxypropylamino)-1-thiophen-2-ylbutan-1-one has a molecular weight of 227.33 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropylamino)-1-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 3072337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).