2-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone

C7H14N2O4S — CID 43558742

IUPAC2-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCS(=O)(=O)N1CCN(C(=O)CO)CC1
InChIInChI=1S/C7H14N2O4S/c1-14(12,13)9-4-2-8(3-5-9)7(11)6-10/h10H,2-6H2,1H3
InChIKeyOYTRXXQBCHULHH-UHFFFAOYSA-N
MW222.27 g/mol
LogP-1.92
Rot. Bonds2

About 2-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone

2-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone (PubChem CID 43558742) has the molecular formula C7H14N2O4S and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone
PubChem CID43558742
Molecular FormulaC7H14N2O4S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Name2-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCS(=O)(=O)N1CCN(C(=O)CO)CC1
InChIInChI=1S/C7H14N2O4S/c1-14(12,13)9-4-2-8(3-5-9)7(11)6-10/h10H,2-6H2,1H3
InChIKeyOYTRXXQBCHULHH-UHFFFAOYSA-N
XLogP-1.92
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-1.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-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

2-Hydroxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 75399750
2-Hydroxy-1-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanone
CID 75443852
[2-[4-(2-Methylsulfonyloxyacetyl)piperazin-1-yl]-2-oxoethyl] methanesulfonate
CID 243565
2-[4-(2-Hydroxyacetyl)piperazin-1-yl]ethanesulfonic acid
CID 21111043
1-(4-Ethylsulfonylpiperazin-1-yl)-2-hydroxyethanone
CID 46199856
[2-(4-Methylpiperazin-1-yl)-2-oxoethyl] methanesulfonate
CID 58168392
[2-[4-(2-Hydroxyethyl)piperazin-1-yl]-2-oxoethyl] pentane-1-sulfonate
CID 88712670
N-(2-hydroxyethyl)-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide
CID 90253117
2-Hydroxy-1-(4-methylsulfanylpiperazin-1-yl)ethanone
CID 130288044
2-(4-Methylsulfonylpiperazin-1-yl)-2-oxoacetic acid
CID 28706045
2-Methoxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 35282502
2-[2-Hydroxyethyl(2-methoxyethyl)amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 53541347

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 2-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone (CID 43558742) is 2-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone is CS(=O)(=O)N1CCN(C(=O)CO)CC1.
What is the InChIKey of 2-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is OYTRXXQBCHULHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4S/c1-14(12,13)9-4-2-8(3-5-9)7(11)6-10/h10H,2-6H2,1H3.
What are the key properties of 2-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
2-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 222.27 g/mol, XLogP of -1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 43558742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).