4-amino-1-(4-bromothiophen-2-yl)-4-cyclopropylbutan-2-one

C11H14BrNOS — CID 116608847

IUPAC4-amino-1-(4-bromothiophen-2-yl)-4-cyclopropylbutan-2-one
SMILESNC(CC(=O)Cc1cc(Br)cs1)C1CC1
InChIInChI=1S/C11H14BrNOS/c12-8-3-10(15-6-8)4-9(14)5-11(13)7-1-2-7/h3,6-7,11H,1-2,4-5,13H2
InChIKeyLOMYJLULTVNDQW-UHFFFAOYSA-N
MW288.21 g/mol
LogP2.75
Rot. Bonds5

About 4-amino-1-(4-bromothiophen-2-yl)-4-cyclopropylbutan-2-one

4-amino-1-(4-bromothiophen-2-yl)-4-cyclopropylbutan-2-one (PubChem CID 116608847) has the molecular formula C11H14BrNOS and a molecular weight of 288.21 g/mol. Its IUPAC name is 4-amino-1-(4-bromothiophen-2-yl)-4-cyclopropylbutan-2-one.

Molecular Properties

Compound Name4-amino-1-(4-bromothiophen-2-yl)-4-cyclopropylbutan-2-one
PubChem CID116608847
Molecular FormulaC11H14BrNOS
Molecular Weight288.21 g/mol
Exact Mass287.00
IUPAC Name4-amino-1-(4-bromothiophen-2-yl)-4-cyclopropylbutan-2-one
SMILESNC(CC(=O)Cc1cc(Br)cs1)C1CC1
InChIInChI=1S/C11H14BrNOS/c12-8-3-10(15-6-8)4-9(14)5-11(13)7-1-2-7/h3,6-7,11H,1-2,4-5,13H2
InChIKeyLOMYJLULTVNDQW-UHFFFAOYSA-N
XLogP2.75
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromothiophen-2-yl)-1-(4-propan-2-ylcyclohexyl)ethanone
CID 65424657
4-amino-1-(2-bromo-5-fluorophenyl)-4-cyclopropylbutan-2-one
CID 116608732
1-(4-bromothiophen-2-yl)-4-(cyclopropylamino)butan-2-one
CID 116559386
2-(4-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanamine
CID 65425884
1-(4-bromothiophen-2-yl)-3-cyclohexylsulfanylpropan-2-one
CID 65139576
2-(4-bromothiophen-2-yl)-1-cycloheptylethanone
CID 65399690
1-(4-bromothiophen-2-yl)-4-(methylamino)butan-2-one
CID 116561191
1-(4-bromothiophen-2-yl)-3-(methylamino)propan-2-one
CID 116553807
1-(4-bromothiophen-2-yl)pent-4-en-2-one
CID 116659507
1-(4-bromothiophen-2-yl)-3-piperidin-3-ylpropan-2-one
CID 116564275
2-(4-bromothiophen-2-yl)-N-cyclopentylacetamide
CID 110769887
4-amino-4-cyclopropyl-1-pyridin-4-ylbutan-2-one
CID 116608929

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-bromothiophen-2-yl)-4-cyclopropylbutan-2-one?
The IUPAC name of 4-amino-1-(4-bromothiophen-2-yl)-4-cyclopropylbutan-2-one (CID 116608847) is 4-amino-1-(4-bromothiophen-2-yl)-4-cyclopropylbutan-2-one.
What is the SMILES notation for 4-amino-1-(4-bromothiophen-2-yl)-4-cyclopropylbutan-2-one?
The canonical SMILES for 4-amino-1-(4-bromothiophen-2-yl)-4-cyclopropylbutan-2-one is NC(CC(=O)Cc1cc(Br)cs1)C1CC1.
What is the InChIKey of 4-amino-1-(4-bromothiophen-2-yl)-4-cyclopropylbutan-2-one?
The InChIKey is LOMYJLULTVNDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNOS/c12-8-3-10(15-6-8)4-9(14)5-11(13)7-1-2-7/h3,6-7,11H,1-2,4-5,13H2.
What are the key properties of 4-amino-1-(4-bromothiophen-2-yl)-4-cyclopropylbutan-2-one?
4-amino-1-(4-bromothiophen-2-yl)-4-cyclopropylbutan-2-one has a molecular weight of 288.21 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-bromothiophen-2-yl)-4-cyclopropylbutan-2-one is sourced from PubChem (CID 116608847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).