1-(4-bromothiophen-2-yl)-4-(cyclopropylamino)butan-2-one

C11H14BrNOS — CID 116559386

IUPAC1-(4-bromothiophen-2-yl)-4-(cyclopropylamino)butan-2-one
SMILESO=C(CCNC1CC1)Cc1cc(Br)cs1
InChIInChI=1S/C11H14BrNOS/c12-8-5-11(15-7-8)6-10(14)3-4-13-9-1-2-9/h5,7,9,13H,1-4,6H2
InChIKeyCYFAYRQQLGRJBA-UHFFFAOYSA-N
MW288.21 g/mol
LogP2.76
Rot. Bonds6

About 1-(4-bromothiophen-2-yl)-4-(cyclopropylamino)butan-2-one

1-(4-bromothiophen-2-yl)-4-(cyclopropylamino)butan-2-one (PubChem CID 116559386) has the molecular formula C11H14BrNOS and a molecular weight of 288.21 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-4-(cyclopropylamino)butan-2-one.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-4-(cyclopropylamino)butan-2-one
PubChem CID116559386
Molecular FormulaC11H14BrNOS
Molecular Weight288.21 g/mol
Exact Mass287.00
IUPAC Name1-(4-bromothiophen-2-yl)-4-(cyclopropylamino)butan-2-one
SMILESO=C(CCNC1CC1)Cc1cc(Br)cs1
InChIInChI=1S/C11H14BrNOS/c12-8-5-11(15-7-8)6-10(14)3-4-13-9-1-2-9/h5,7,9,13H,1-4,6H2
InChIKeyCYFAYRQQLGRJBA-UHFFFAOYSA-N
XLogP2.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromothiophen-2-yl)-4-(methylamino)butan-2-one
CID 116561191
2-(4-bromothiophen-2-yl)-N-cyclopentylacetamide
CID 110769887
1-(5-chlorothiophen-2-yl)-4-(cyclopropylamino)butan-2-one
CID 116559351
1-(4-bromothiophen-2-yl)hexan-2-one
CID 79404796
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-(cyclopropylamino)butan-2-one
CID 116559463
1-(4-bromothiophen-2-yl)-4-methylsulfanylbutan-2-one
CID 105092529
1-(4-bromothiophen-2-yl)-3-(methylamino)propan-2-one
CID 116553807
1-(4-bromothiophen-2-yl)-3-cyclohexylsulfanylpropan-2-one
CID 65139576
4-amino-1-(4-bromothiophen-2-yl)-4-cyclopropylbutan-2-one
CID 116608847
1-(cyclopropylamino)-5-thiophen-3-ylpentan-3-one
CID 116559357
4-bromo-N-cyclopropylthiophene-2-carboxamide
CID 110763428
2-(4-bromothiophen-2-yl)-1-cycloheptylethanone
CID 65399690

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-4-(cyclopropylamino)butan-2-one?
The IUPAC name of 1-(4-bromothiophen-2-yl)-4-(cyclopropylamino)butan-2-one (CID 116559386) is 1-(4-bromothiophen-2-yl)-4-(cyclopropylamino)butan-2-one.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-4-(cyclopropylamino)butan-2-one?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-4-(cyclopropylamino)butan-2-one is O=C(CCNC1CC1)Cc1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-4-(cyclopropylamino)butan-2-one?
The InChIKey is CYFAYRQQLGRJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNOS/c12-8-5-11(15-7-8)6-10(14)3-4-13-9-1-2-9/h5,7,9,13H,1-4,6H2.
What are the key properties of 1-(4-bromothiophen-2-yl)-4-(cyclopropylamino)butan-2-one?
1-(4-bromothiophen-2-yl)-4-(cyclopropylamino)butan-2-one has a molecular weight of 288.21 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-4-(cyclopropylamino)butan-2-one is sourced from PubChem (CID 116559386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).