1-(4-amino-3-methyloxolan-3-yl)-2-(4-bromothiophen-2-yl)ethanone

C11H14BrNO2S — CID 116563194

IUPAC1-(4-amino-3-methyloxolan-3-yl)-2-(4-bromothiophen-2-yl)ethanone
SMILESCC1(C(=O)Cc2cc(Br)cs2)COCC1N
InChIInChI=1S/C11H14BrNO2S/c1-11(6-15-4-9(11)13)10(14)3-8-2-7(12)5-16-8/h2,5,9H,3-4,6,13H2,1H3
InChIKeyHRXSZMUJNGDELV-UHFFFAOYSA-N
MW304.21 g/mol
LogP1.99
Rot. Bonds3

About 1-(4-amino-3-methyloxolan-3-yl)-2-(4-bromothiophen-2-yl)ethanone

1-(4-amino-3-methyloxolan-3-yl)-2-(4-bromothiophen-2-yl)ethanone (PubChem CID 116563194) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is 1-(4-amino-3-methyloxolan-3-yl)-2-(4-bromothiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-amino-3-methyloxolan-3-yl)-2-(4-bromothiophen-2-yl)ethanone
PubChem CID116563194
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC Name1-(4-amino-3-methyloxolan-3-yl)-2-(4-bromothiophen-2-yl)ethanone
SMILESCC1(C(=O)Cc2cc(Br)cs2)COCC1N
InChIInChI=1S/C11H14BrNO2S/c1-11(6-15-4-9(11)13)10(14)3-8-2-7(12)5-16-8/h2,5,9H,3-4,6,13H2,1H3
InChIKeyHRXSZMUJNGDELV-UHFFFAOYSA-N
XLogP1.99
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 51.99
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)-2-(4-bromothiophen-2-yl)ethanone?
The IUPAC name of 1-(4-amino-3-methyloxolan-3-yl)-2-(4-bromothiophen-2-yl)ethanone (CID 116563194) is 1-(4-amino-3-methyloxolan-3-yl)-2-(4-bromothiophen-2-yl)ethanone.
What is the SMILES notation for 1-(4-amino-3-methyloxolan-3-yl)-2-(4-bromothiophen-2-yl)ethanone?
The canonical SMILES for 1-(4-amino-3-methyloxolan-3-yl)-2-(4-bromothiophen-2-yl)ethanone is CC1(C(=O)Cc2cc(Br)cs2)COCC1N.
What is the InChIKey of 1-(4-amino-3-methyloxolan-3-yl)-2-(4-bromothiophen-2-yl)ethanone?
The InChIKey is HRXSZMUJNGDELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2S/c1-11(6-15-4-9(11)13)10(14)3-8-2-7(12)5-16-8/h2,5,9H,3-4,6,13H2,1H3.
What are the key properties of 1-(4-amino-3-methyloxolan-3-yl)-2-(4-bromothiophen-2-yl)ethanone?
1-(4-amino-3-methyloxolan-3-yl)-2-(4-bromothiophen-2-yl)ethanone has a molecular weight of 304.21 g/mol, XLogP of 1.99, 3 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)-2-(4-bromothiophen-2-yl)ethanone is sourced from PubChem (CID 116563194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).