2,2,2-trifluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone

C7H11F3N2O3S — CID 57357273

IUPAC2,2,2-trifluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCS(=O)(=O)N1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C7H11F3N2O3S/c1-16(14,15)12-4-2-11(3-5-12)6(13)7(8,9)10/h2-5H2,1H3
InChIKeyDWZMBJYYFKMZII-UHFFFAOYSA-N
MW260.24 g/mol
LogP-0.35
Rot. Bonds1

About 2,2,2-trifluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone

2,2,2-trifluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone (PubChem CID 57357273) has the molecular formula C7H11F3N2O3S and a molecular weight of 260.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone
PubChem CID57357273
Molecular FormulaC7H11F3N2O3S
Molecular Weight260.24 g/mol
Exact Mass260.04
IUPAC Name2,2,2-trifluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCS(=O)(=O)N1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C7H11F3N2O3S/c1-16(14,15)12-4-2-11(3-5-12)6(13)7(8,9)10/h2-5H2,1H3
InChIKeyDWZMBJYYFKMZII-UHFFFAOYSA-N
XLogP-0.35
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(Methylsulfonyl)piperazin-1-Yl]ethan-1-One
CID 20585914
1-(4-Ethylsulfonylpiperazin-1-yl)-3,3,3-trifluoropropan-1-one
CID 46199858
1,1-Difluoro-2-(4-methylpiperazin-1-yl)-2-oxoethanesulfonate
CID 58491328
1,1-Difluoro-2-(4-methylpiperazin-1-yl)-2-oxoethanesulfonic acid
CID 58491329
1-[4-(Trifluoromethylsulfonyl)piperazin-1-yl]ethanone
CID 126758715
2,2,2-Trifluoro-1-(4-methylsulfanylpiperazin-1-yl)ethanone
CID 134250228
N-(4-acetylpiperazin-1-yl)sulfonyl-N-(2,2-difluoroethyl)acetamide
CID 171507577
4-(Trifluoromethylsulfonyl)piperazine-1-carbaldehyde
CID 175455149
3,3,3-Trifluoro-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
CID 45808137
N-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 49070412
1,1-difluoro-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide
CID 60894398
4-(2,2,2-Trifluoroacetyl)piperazine-1-sulfonamide
CID 61128999

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone (CID 57357273) is 2,2,2-trifluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone is CS(=O)(=O)N1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is DWZMBJYYFKMZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O3S/c1-16(14,15)12-4-2-11(3-5-12)6(13)7(8,9)10/h2-5H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
2,2,2-trifluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 260.24 g/mol, XLogP of -0.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 57357273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).