4-(5-bromothiophen-2-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one

C15H20BrNO2S — CID 63762538

IUPAC4-(5-bromothiophen-2-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one
SMILESO=C(CCCc1ccc(Br)s1)N1C2CCC1CC(O)C2
InChIInChI=1S/C15H20BrNO2S/c16-14-7-6-13(20-14)2-1-3-15(19)17-10-4-5-11(17)9-12(18)8-10/h6-7,10-12,18H,1-5,8-9H2
InChIKeyZKQUGRIATZWLFF-UHFFFAOYSA-N
MW358.30 g/mol
LogP3.35
Rot. Bonds4

About 4-(5-bromothiophen-2-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one

4-(5-bromothiophen-2-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one (PubChem CID 63762538) has the molecular formula C15H20BrNO2S and a molecular weight of 358.30 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one
PubChem CID63762538
Molecular FormulaC15H20BrNO2S
Molecular Weight358.30 g/mol
Exact Mass357.04
IUPAC Name4-(5-bromothiophen-2-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one
SMILESO=C(CCCc1ccc(Br)s1)N1C2CCC1CC(O)C2
InChIInChI=1S/C15H20BrNO2S/c16-14-7-6-13(20-14)2-1-3-15(19)17-10-4-5-11(17)9-12(18)8-10/h6-7,10-12,18H,1-5,8-9H2
InChIKeyZKQUGRIATZWLFF-UHFFFAOYSA-N
XLogP3.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(5-bromothiophen-2-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one with MolForge

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Related Compounds

(2R,4R)-1-[4-(5-bromothiophen-2-yl)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000683
1-[3-(aminomethyl)pyrrolidin-1-yl]-4-(5-bromothiophen-2-yl)butan-1-one
CID 119486898
1-[4-(5-bromothiophen-2-yl)butanoyl]-2-methylpiperidine-4-carboxylic acid
CID 106741887
4-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one
CID 63769983
1-[2-(1-aminoethyl)piperidin-1-yl]-4-(5-bromothiophen-2-yl)butan-1-one;hydrochloride
CID 119437402
methyl (2R)-1-[4-(5-bromothiophen-2-yl)butanoyl]piperidine-2-carboxylate
CID 79835990
4-(5-bromothiophen-2-yl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]butan-1-one;hydrochloride
CID 119625072
3-[(3R)-1-[4-(5-bromothiophen-2-yl)butanoyl]piperidin-3-yl]propanoic acid
CID 124701500
1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-pyridin-4-ylpropan-1-one
CID 78995399
ethyl 2-[4-(5-bromothiophen-2-yl)butanoyl-cyclopropylamino]acetate
CID 61410554
1-[4-(5-bromothiophen-2-yl)butanoyl]piperidin-3-one
CID 115277162
1-(5-bromothiophen-2-yl)heptan-4-one
CID 64520932

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one?
The IUPAC name of 4-(5-bromothiophen-2-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one (CID 63762538) is 4-(5-bromothiophen-2-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one?
The canonical SMILES for 4-(5-bromothiophen-2-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one is O=C(CCCc1ccc(Br)s1)N1C2CCC1CC(O)C2.
What is the InChIKey of 4-(5-bromothiophen-2-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one?
The InChIKey is ZKQUGRIATZWLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2S/c16-14-7-6-13(20-14)2-1-3-15(19)17-10-4-5-11(17)9-12(18)8-10/h6-7,10-12,18H,1-5,8-9H2.
What are the key properties of 4-(5-bromothiophen-2-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one?
4-(5-bromothiophen-2-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one has a molecular weight of 358.30 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one is sourced from PubChem (CID 63762538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).