6-amino-1-(4-bromothiophen-3-yl)-4-methylhexan-1-one

C11H16BrNOS — CID 116581718

IUPAC6-amino-1-(4-bromothiophen-3-yl)-4-methylhexan-1-one
SMILESCC(CCN)CCC(=O)c1cscc1Br
InChIInChI=1S/C11H16BrNOS/c1-8(4-5-13)2-3-11(14)9-6-15-7-10(9)12/h6-8H,2-5,13H2,1H3
InChIKeyLGBAPHHAEVCGLG-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.46
Rot. Bonds6

About 6-amino-1-(4-bromothiophen-3-yl)-4-methylhexan-1-one

6-amino-1-(4-bromothiophen-3-yl)-4-methylhexan-1-one (PubChem CID 116581718) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is 6-amino-1-(4-bromothiophen-3-yl)-4-methylhexan-1-one.

Molecular Properties

Compound Name6-amino-1-(4-bromothiophen-3-yl)-4-methylhexan-1-one
PubChem CID116581718
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name6-amino-1-(4-bromothiophen-3-yl)-4-methylhexan-1-one
SMILESCC(CCN)CCC(=O)c1cscc1Br
InChIInChI=1S/C11H16BrNOS/c1-8(4-5-13)2-3-11(14)9-6-15-7-10(9)12/h6-8H,2-5,13H2,1H3
InChIKeyLGBAPHHAEVCGLG-UHFFFAOYSA-N
XLogP3.46
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Amino-4-ethyl-1-[4-(trifluoromethyl)thiophen-3-yl]hexan-1-one
CID 112745667
(4-Bromothiophen-3-yl)-(4-ethylcyclohexyl)methanone
CID 79595071
1-(4-Bromothiophen-3-yl)pentan-1-one
CID 79595186
(4-Bromothiophen-3-yl)-(4-propylcyclohexyl)methanone
CID 79595293
(4-Bromothiophen-3-yl)-(3-ethylcyclohexyl)methanone
CID 79595404
(4-Bromothiophen-3-yl)-(3-methylcyclopentyl)methanone
CID 79595514
(4-Bromothiophen-3-yl)-(2-methylcyclopropyl)methanone
CID 79595948
(4-Bromothiophen-3-yl)-cyclopentylmethanone
CID 79596047
1-(4-Bromothiophen-3-yl)-4-methylpentan-1-one
CID 79596702
(4-Bromothiophen-3-yl)-cyclooctylmethanone
CID 80602731
1-(4-Bromothiophen-3-yl)-2-cyclobutylethanone
CID 103167971
(4-Bromothiophen-3-yl)-(2-propylpyrrolidin-2-yl)methanone
CID 106976885

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(4-bromothiophen-3-yl)-4-methylhexan-1-one?
The IUPAC name of 6-amino-1-(4-bromothiophen-3-yl)-4-methylhexan-1-one (CID 116581718) is 6-amino-1-(4-bromothiophen-3-yl)-4-methylhexan-1-one.
What is the SMILES notation for 6-amino-1-(4-bromothiophen-3-yl)-4-methylhexan-1-one?
The canonical SMILES for 6-amino-1-(4-bromothiophen-3-yl)-4-methylhexan-1-one is CC(CCN)CCC(=O)c1cscc1Br.
What is the InChIKey of 6-amino-1-(4-bromothiophen-3-yl)-4-methylhexan-1-one?
The InChIKey is LGBAPHHAEVCGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-8(4-5-13)2-3-11(14)9-6-15-7-10(9)12/h6-8H,2-5,13H2,1H3.
What are the key properties of 6-amino-1-(4-bromothiophen-3-yl)-4-methylhexan-1-one?
6-amino-1-(4-bromothiophen-3-yl)-4-methylhexan-1-one has a molecular weight of 290.23 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(4-bromothiophen-3-yl)-4-methylhexan-1-one is sourced from PubChem (CID 116581718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).