1-(4-amino-3-methyloxolan-3-yl)-3-thiophen-2-ylpropan-1-one

C12H17NO2S — CID 116563126

IUPAC1-(4-amino-3-methyloxolan-3-yl)-3-thiophen-2-ylpropan-1-one
SMILESCC1(C(=O)CCc2cccs2)COCC1N
InChIInChI=1S/C12H17NO2S/c1-12(8-15-7-10(12)13)11(14)5-4-9-3-2-6-16-9/h2-3,6,10H,4-5,7-8,13H2,1H3
InChIKeyFGZIINMATAXMEG-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.61
Rot. Bonds4

About 1-(4-amino-3-methyloxolan-3-yl)-3-thiophen-2-ylpropan-1-one

1-(4-amino-3-methyloxolan-3-yl)-3-thiophen-2-ylpropan-1-one (PubChem CID 116563126) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-(4-amino-3-methyloxolan-3-yl)-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-amino-3-methyloxolan-3-yl)-3-thiophen-2-ylpropan-1-one
PubChem CID116563126
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name1-(4-amino-3-methyloxolan-3-yl)-3-thiophen-2-ylpropan-1-one
SMILESCC1(C(=O)CCc2cccs2)COCC1N
InChIInChI=1S/C12H17NO2S/c1-12(8-15-7-10(12)13)11(14)5-4-9-3-2-6-16-9/h2-3,6,10H,4-5,7-8,13H2,1H3
InChIKeyFGZIINMATAXMEG-UHFFFAOYSA-N
XLogP1.61
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methyloxolan-3-yl)-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-(4-amino-3-methyloxolan-3-yl)-3-thiophen-2-ylpropan-1-one (CID 116563126) is 1-(4-amino-3-methyloxolan-3-yl)-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-(4-amino-3-methyloxolan-3-yl)-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-(4-amino-3-methyloxolan-3-yl)-3-thiophen-2-ylpropan-1-one is CC1(C(=O)CCc2cccs2)COCC1N.
What is the InChIKey of 1-(4-amino-3-methyloxolan-3-yl)-3-thiophen-2-ylpropan-1-one?
The InChIKey is FGZIINMATAXMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-12(8-15-7-10(12)13)11(14)5-4-9-3-2-6-16-9/h2-3,6,10H,4-5,7-8,13H2,1H3.
What are the key properties of 1-(4-amino-3-methyloxolan-3-yl)-3-thiophen-2-ylpropan-1-one?
1-(4-amino-3-methyloxolan-3-yl)-3-thiophen-2-ylpropan-1-one has a molecular weight of 239.34 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methyloxolan-3-yl)-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 116563126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).