1-(4-bromothiophen-2-yl)-3-(methylamino)propan-2-one

C8H10BrNOS — CID 116553807

IUPAC1-(4-bromothiophen-2-yl)-3-(methylamino)propan-2-one
SMILESCNCC(=O)Cc1cc(Br)cs1
InChIInChI=1S/C8H10BrNOS/c1-10-4-7(11)3-8-2-6(9)5-12-8/h2,5,10H,3-4H2,1H3
InChIKeyCNJRJBLORNKENJ-UHFFFAOYSA-N
MW248.14 g/mol
LogP1.84
Rot. Bonds4

About 1-(4-bromothiophen-2-yl)-3-(methylamino)propan-2-one

1-(4-bromothiophen-2-yl)-3-(methylamino)propan-2-one (PubChem CID 116553807) has the molecular formula C8H10BrNOS and a molecular weight of 248.14 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-3-(methylamino)propan-2-one.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-3-(methylamino)propan-2-one
PubChem CID116553807
Molecular FormulaC8H10BrNOS
Molecular Weight248.14 g/mol
Exact Mass246.97
IUPAC Name1-(4-bromothiophen-2-yl)-3-(methylamino)propan-2-one
SMILESCNCC(=O)Cc1cc(Br)cs1
InChIInChI=1S/C8H10BrNOS/c1-10-4-7(11)3-8-2-6(9)5-12-8/h2,5,10H,3-4H2,1H3
InChIKeyCNJRJBLORNKENJ-UHFFFAOYSA-N
XLogP1.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.14
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 116589847
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1-(4-bromothiophen-2-yl)-4-methylsulfanylbutan-2-one
CID 105092529
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2-[[2-(4-bromothiophen-2-yl)acetyl]amino]acetic acid
CID 82307146
1-(4-bromothiophen-2-yl)-4-propoxybutan-2-one
CID 105092454
1-(4-bromothiophen-2-yl)-4-(cyclopropylamino)butan-2-one
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1-[(4-bromothiophen-2-yl)methyl]-3-methylurea
CID 23548634
1-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propan-2-one
CID 62621721
1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)propan-2-one
CID 62620804

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-3-(methylamino)propan-2-one?
The IUPAC name of 1-(4-bromothiophen-2-yl)-3-(methylamino)propan-2-one (CID 116553807) is 1-(4-bromothiophen-2-yl)-3-(methylamino)propan-2-one.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-3-(methylamino)propan-2-one?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-3-(methylamino)propan-2-one is CNCC(=O)Cc1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-3-(methylamino)propan-2-one?
The InChIKey is CNJRJBLORNKENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNOS/c1-10-4-7(11)3-8-2-6(9)5-12-8/h2,5,10H,3-4H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-3-(methylamino)propan-2-one?
1-(4-bromothiophen-2-yl)-3-(methylamino)propan-2-one has a molecular weight of 248.14 g/mol, XLogP of 1.84, 4 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)-3-(methylamino)propan-2-one is sourced from PubChem (CID 116553807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).