ethane;1-(4-methylsulfonylpiperazin-1-yl)ethanone

C11H26N2O3S — CID 163266622

IUPACethane;1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCC.CC.CC(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C7H14N2O3S.2C2H6/c1-7(10)8-3-5-9(6-4-8)13(2,11)12;2*1-2/h3-6H2,1-2H3;2*1-2H3
InChIKeyWHIWHBRMJPCCET-UHFFFAOYSA-N
MW266.41 g/mol
LogP1.16
Rot. Bonds1

About ethane;1-(4-methylsulfonylpiperazin-1-yl)ethanone

ethane;1-(4-methylsulfonylpiperazin-1-yl)ethanone (PubChem CID 163266622) has the molecular formula C11H26N2O3S and a molecular weight of 266.41 g/mol. Its IUPAC name is ethane;1-(4-methylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(4-methylsulfonylpiperazin-1-yl)ethanone
PubChem CID163266622
Molecular FormulaC11H26N2O3S
Molecular Weight266.41 g/mol
Exact Mass266.17
IUPAC Nameethane;1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCC.CC.CC(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C7H14N2O3S.2C2H6/c1-7(10)8-3-5-9(6-4-8)13(2,11)12;2*1-2/h3-6H2,1-2H3;2*1-2H3
InChIKeyWHIWHBRMJPCCET-UHFFFAOYSA-N
XLogP1.16
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;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-Propylsulfonylpiperazin-1-yl)ethanone
CID 46228168
1-[4-(Methylsulfonyl)piperazin-1-Yl]ethan-1-One
CID 20585914
N-methyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]methanesulfonamide
CID 30464585
1-(4-Propylsulfonylpiperazin-1-yl)propan-1-one
CID 46228302
2,2-Dimethyl-1-[4-(methylsulfonyl)piperazinyl]propan-1-one
CID 17249257
2,2-dimethyl-1-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]propan-1-one
CID 127751743
2,2,2-Trifluoro-1-[4-(methanesulfonyl)piperazin-1-yl]ethan-1-one
CID 57357273
1-[4-(Trifluoromethylsulfonyl)piperazin-1-yl]ethanone
CID 126758715
1,4-Bis(methylsulfonyl)piperazin-2-one
CID 600837
1-(4-Methylsulfonylpiperazin-1-yl)butan-1-one
CID 2971308
N-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 49070412
2,2-Difluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 103514727

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of ethane;1-(4-methylsulfonylpiperazin-1-yl)ethanone (CID 163266622) is ethane;1-(4-methylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for ethane;1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for ethane;1-(4-methylsulfonylpiperazin-1-yl)ethanone is CC.CC.CC(=O)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of ethane;1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is WHIWHBRMJPCCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S.2C2H6/c1-7(10)8-3-5-9(6-4-8)13(2,11)12;2*1-2/h3-6H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-(4-methylsulfonylpiperazin-1-yl)ethanone?
ethane;1-(4-methylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 266.41 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 163266622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).