5-amino-1-(4-bromothiophen-3-yl)hexan-1-one

C10H14BrNOS — CID 116610226

IUPAC5-amino-1-(4-bromothiophen-3-yl)hexan-1-one
SMILESCC(N)CCCC(=O)c1cscc1Br
InChIInChI=1S/C10H14BrNOS/c1-7(12)3-2-4-10(13)8-5-14-6-9(8)11/h5-7H,2-4,12H2,1H3
InChIKeyKUMSQRIMZOQYLR-UHFFFAOYSA-N
MW276.20 g/mol
LogP3.21
Rot. Bonds5

About 5-amino-1-(4-bromothiophen-3-yl)hexan-1-one

5-amino-1-(4-bromothiophen-3-yl)hexan-1-one (PubChem CID 116610226) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is 5-amino-1-(4-bromothiophen-3-yl)hexan-1-one.

Molecular Properties

Compound Name5-amino-1-(4-bromothiophen-3-yl)hexan-1-one
PubChem CID116610226
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name5-amino-1-(4-bromothiophen-3-yl)hexan-1-one
SMILESCC(N)CCCC(=O)c1cscc1Br
InChIInChI=1S/C10H14BrNOS/c1-7(12)3-2-4-10(13)8-5-14-6-9(8)11/h5-7H,2-4,12H2,1H3
InChIKeyKUMSQRIMZOQYLR-UHFFFAOYSA-N
XLogP3.21
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(4-bromothiophen-3-yl)pentan-1-one
CID 116571770
1-(4-bromothiophen-3-yl)-4-methylpentan-1-one
CID 79596702
6-amino-1-(4-bromothiophen-3-yl)-4-methylhexan-1-one
CID 116581718
1-(4-bromothiophen-3-yl)-4-(propan-2-ylamino)butan-1-one
CID 116558286
1-(4-bromothiophen-3-yl)-4-hydroxybutan-1-one
CID 106677550
4-(2-aminoethyl)-1-(4-bromothiophen-3-yl)-5-methylhexan-1-one
CID 116578005
4-(2-aminoethyl)-1-(4-bromothiophen-3-yl)-5,5-dimethylhexan-1-one
CID 116578526
1-(4-bromothiophen-3-yl)-4-phenylbutan-1-one
CID 105116019
2-amino-1-(4-bromothiophen-3-yl)pentan-1-one
CID 116554721
2-amino-1-(4-bromothiophen-3-yl)-5-methoxypentan-1-one
CID 116593844
1-(4-bromothiophen-3-yl)-3,5,5-trimethylhexan-1-one
CID 115784113
1-(4-bromothiophen-3-yl)-2-butan-2-ylsulfanylethanone
CID 79596052

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-bromothiophen-3-yl)hexan-1-one?
The IUPAC name of 5-amino-1-(4-bromothiophen-3-yl)hexan-1-one (CID 116610226) is 5-amino-1-(4-bromothiophen-3-yl)hexan-1-one.
What is the SMILES notation for 5-amino-1-(4-bromothiophen-3-yl)hexan-1-one?
The canonical SMILES for 5-amino-1-(4-bromothiophen-3-yl)hexan-1-one is CC(N)CCCC(=O)c1cscc1Br.
What is the InChIKey of 5-amino-1-(4-bromothiophen-3-yl)hexan-1-one?
The InChIKey is KUMSQRIMZOQYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-7(12)3-2-4-10(13)8-5-14-6-9(8)11/h5-7H,2-4,12H2,1H3.
What are the key properties of 5-amino-1-(4-bromothiophen-3-yl)hexan-1-one?
5-amino-1-(4-bromothiophen-3-yl)hexan-1-one has a molecular weight of 276.20 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-bromothiophen-3-yl)hexan-1-one is sourced from PubChem (CID 116610226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).