1-(5-bromothiophen-2-yl)-2-hydroxy-3-(methylamino)propan-1-one

C8H10BrNO2S — CID 116826737

IUPAC1-(5-bromothiophen-2-yl)-2-hydroxy-3-(methylamino)propan-1-one
SMILESCNCC(O)C(=O)c1ccc(Br)s1
InChIInChI=1S/C8H10BrNO2S/c1-10-4-5(11)8(12)6-2-3-7(9)13-6/h2-3,5,10-11H,4H2,1H3
InChIKeyCVSWUQDDJGMNPX-UHFFFAOYSA-N
MW264.14 g/mol
LogP1.27
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-2-hydroxy-3-(methylamino)propan-1-one

1-(5-bromothiophen-2-yl)-2-hydroxy-3-(methylamino)propan-1-one (PubChem CID 116826737) has the molecular formula C8H10BrNO2S and a molecular weight of 264.14 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-hydroxy-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-hydroxy-3-(methylamino)propan-1-one
PubChem CID116826737
Molecular FormulaC8H10BrNO2S
Molecular Weight264.14 g/mol
Exact Mass262.96
IUPAC Name1-(5-bromothiophen-2-yl)-2-hydroxy-3-(methylamino)propan-1-one
SMILESCNCC(O)C(=O)c1ccc(Br)s1
InChIInChI=1S/C8H10BrNO2S/c1-10-4-5(11)8(12)6-2-3-7(9)13-6/h2-3,5,10-11H,4H2,1H3
InChIKeyCVSWUQDDJGMNPX-UHFFFAOYSA-N
XLogP1.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.14
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromothiophen-2-yl)-3-methyl-2-(methylaminomethyl)butan-1-one
CID 116923505
1-(5-bromothiophen-2-yl)-2-chloropropan-1-one
CID 61103388
3-[(5-bromothiophene-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66167024
methyl 3-(5-bromothiophen-2-yl)-2-chloro-3-oxopropanoate
CID 82490118
1-(5-bromothiophen-2-yl)butane-1,3-dione
CID 42614631
N-(5-bromothiophen-2-yl)-2-(methylaminomethyl)butanamide
CID 115188720
1-(5-bromothiophen-2-yl)-2-(1,1-dihydroxyethylamino)propan-1-one
CID 140598923
5-bromo-N-(3-bromo-2-methylpropyl)thiophene-2-carboxamide
CID 114313311
5-bromo-N-(2-ethylbutyl)thiophene-2-carboxamide
CID 84545370
2-amino-1-(5-bromothiophen-2-yl)-3-(dimethylamino)propan-1-one
CID 83694135
5-[(5-bromothiophene-2-carbonyl)amino]-4-methylpentanoic acid
CID 82010230
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CID 140598902

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-hydroxy-3-(methylamino)propan-1-one?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-hydroxy-3-(methylamino)propan-1-one (CID 116826737) is 1-(5-bromothiophen-2-yl)-2-hydroxy-3-(methylamino)propan-1-one.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-hydroxy-3-(methylamino)propan-1-one?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-hydroxy-3-(methylamino)propan-1-one is CNCC(O)C(=O)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-hydroxy-3-(methylamino)propan-1-one?
The InChIKey is CVSWUQDDJGMNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2S/c1-10-4-5(11)8(12)6-2-3-7(9)13-6/h2-3,5,10-11H,4H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-hydroxy-3-(methylamino)propan-1-one?
1-(5-bromothiophen-2-yl)-2-hydroxy-3-(methylamino)propan-1-one has a molecular weight of 264.14 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-hydroxy-3-(methylamino)propan-1-one is sourced from PubChem (CID 116826737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).