1-[5-(aminomethyl)oxolan-2-yl]-3-thiophen-3-ylpropan-1-one

C12H17NO2S — CID 116589205

IUPAC1-[5-(aminomethyl)oxolan-2-yl]-3-thiophen-3-ylpropan-1-one
SMILESNCC1CCC(C(=O)CCc2ccsc2)O1
InChIInChI=1S/C12H17NO2S/c13-7-10-2-4-12(15-10)11(14)3-1-9-5-6-16-8-9/h5-6,8,10,12H,1-4,7,13H2
InChIKeyZJUUZIVTZDZNSF-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.76
Rot. Bonds5

About 1-[5-(aminomethyl)oxolan-2-yl]-3-thiophen-3-ylpropan-1-one

1-[5-(aminomethyl)oxolan-2-yl]-3-thiophen-3-ylpropan-1-one (PubChem CID 116589205) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-[5-(aminomethyl)oxolan-2-yl]-3-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[5-(aminomethyl)oxolan-2-yl]-3-thiophen-3-ylpropan-1-one
PubChem CID116589205
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name1-[5-(aminomethyl)oxolan-2-yl]-3-thiophen-3-ylpropan-1-one
SMILESNCC1CCC(C(=O)CCc2ccsc2)O1
InChIInChI=1S/C12H17NO2S/c13-7-10-2-4-12(15-10)11(14)3-1-9-5-6-16-8-9/h5-6,8,10,12H,1-4,7,13H2
InChIKeyZJUUZIVTZDZNSF-UHFFFAOYSA-N
XLogP1.76
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclobutyl-3-thiophen-3-ylpropan-1-one
CID 64981798
1-(2-aminocyclohexyl)-3-thiophen-3-ylpropan-1-one
CID 116579929
1-(4,4-dimethylcyclohexyl)-3-thiophen-3-ylpropan-1-one
CID 65390404
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 120789025
1-(1,1-dioxothian-2-yl)-3-thiophen-3-ylpropan-1-one
CID 114972231
1-(4-tert-butylcyclohexyl)-3-thiophen-3-ylpropan-1-one
CID 65402918
1-[5-(aminomethyl)oxolan-2-yl]-4,4-dimethylpentan-1-one
CID 116589055
1-(4-ethylmorpholin-2-yl)-3-thiophen-3-ylpropan-1-one
CID 79665999
1-(2,3-dihydro-1H-inden-1-yl)-3-thiophen-3-ylpropan-1-one
CID 65407812
1-(4-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one
CID 116572594
1-[5-(aminomethyl)oxolan-2-yl]-2-(5-bromothiophen-2-yl)ethanone
CID 116589040
1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-one
CID 114972104

Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)oxolan-2-yl]-3-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-[5-(aminomethyl)oxolan-2-yl]-3-thiophen-3-ylpropan-1-one (CID 116589205) is 1-[5-(aminomethyl)oxolan-2-yl]-3-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-[5-(aminomethyl)oxolan-2-yl]-3-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-[5-(aminomethyl)oxolan-2-yl]-3-thiophen-3-ylpropan-1-one is NCC1CCC(C(=O)CCc2ccsc2)O1.
What is the InChIKey of 1-[5-(aminomethyl)oxolan-2-yl]-3-thiophen-3-ylpropan-1-one?
The InChIKey is ZJUUZIVTZDZNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c13-7-10-2-4-12(15-10)11(14)3-1-9-5-6-16-8-9/h5-6,8,10,12H,1-4,7,13H2.
What are the key properties of 1-[5-(aminomethyl)oxolan-2-yl]-3-thiophen-3-ylpropan-1-one?
1-[5-(aminomethyl)oxolan-2-yl]-3-thiophen-3-ylpropan-1-one has a molecular weight of 239.34 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminomethyl)oxolan-2-yl]-3-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 116589205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).