2-(5-bromothiophen-2-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone

C11H15BrN2O3S2 — CID 110804583

IUPAC2-(5-bromothiophen-2-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCS(=O)(=O)N1CCN(C(=O)Cc2ccc(Br)s2)CC1
InChIInChI=1S/C11H15BrN2O3S2/c1-19(16,17)14-6-4-13(5-7-14)11(15)8-9-2-3-10(12)18-9/h2-3H,4-8H2,1H3
InChIKeyRXSPHXMVNKXALA-UHFFFAOYSA-N
MW367.29 g/mol
LogP1.16
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone

2-(5-bromothiophen-2-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone (PubChem CID 110804583) has the molecular formula C11H15BrN2O3S2 and a molecular weight of 367.29 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
PubChem CID110804583
Molecular FormulaC11H15BrN2O3S2
Molecular Weight367.29 g/mol
Exact Mass365.97
IUPAC Name2-(5-bromothiophen-2-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCS(=O)(=O)N1CCN(C(=O)Cc2ccc(Br)s2)CC1
InChIInChI=1S/C11H15BrN2O3S2/c1-19(16,17)14-6-4-13(5-7-14)11(15)8-9-2-3-10(12)18-9/h2-3H,4-8H2,1H3
InChIKeyRXSPHXMVNKXALA-UHFFFAOYSA-N
XLogP1.16
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(5-bromothiophen-2-yl)acetyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110800957
1-[4-[2-(5-bromothiophen-2-yl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110801531
1-[2-(5-bromothiophen-2-yl)acetyl]piperidine-4-carboxylic acid
CID 119166508
2-(5-bromothiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanone
CID 114967413
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-bromothiophen-2-yl)ethanone
CID 119413490
1-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 17145704
N-[2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 55606435
6-[2-(5-bromothiophen-2-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175163
1-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-methylsulfanylethanone
CID 9298446
2-(5-bromothiophen-2-yl)-1-[(2S)-2-ethylmorpholin-4-yl]ethanone
CID 96547494
1-(4-methylsulfonylpiperazin-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 51252178
2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 91833282

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone (CID 110804583) is 2-(5-bromothiophen-2-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone is CS(=O)(=O)N1CCN(C(=O)Cc2ccc(Br)s2)CC1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is RXSPHXMVNKXALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3S2/c1-19(16,17)14-6-4-13(5-7-14)11(15)8-9-2-3-10(12)18-9/h2-3H,4-8H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
2-(5-bromothiophen-2-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 367.29 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 110804583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).