(2-oxo-2-piperazin-1-ylethyl) methanesulfonate

C7H14N2O4S — CID 89034071

IUPAC(2-oxo-2-piperazin-1-ylethyl) methanesulfonate
SMILESCS(=O)(=O)OCC(=O)N1CCNCC1
InChIInChI=1S/C7H14N2O4S/c1-14(11,12)13-6-7(10)9-4-2-8-3-5-9/h8H,2-6H2,1H3
InChIKeyOLVNMPFRNMALEF-UHFFFAOYSA-N
MW222.27 g/mol
LogP-1.61
Rot. Bonds3

About (2-oxo-2-piperazin-1-ylethyl) methanesulfonate

(2-oxo-2-piperazin-1-ylethyl) methanesulfonate (PubChem CID 89034071) has the molecular formula C7H14N2O4S and a molecular weight of 222.27 g/mol. Its IUPAC name is (2-oxo-2-piperazin-1-ylethyl) methanesulfonate.

Molecular Properties

Compound Name(2-oxo-2-piperazin-1-ylethyl) methanesulfonate
PubChem CID89034071
Molecular FormulaC7H14N2O4S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Name(2-oxo-2-piperazin-1-ylethyl) methanesulfonate
SMILESCS(=O)(=O)OCC(=O)N1CCNCC1
InChIInChI=1S/C7H14N2O4S/c1-14(11,12)13-6-7(10)9-4-2-8-3-5-9/h8H,2-6H2,1H3
InChIKeyOLVNMPFRNMALEF-UHFFFAOYSA-N
XLogP-1.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-1.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze (2-oxo-2-piperazin-1-ylethyl) methanesulfonate 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

N, Dimethanesulfonate
CID 230251
2-ethoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide
CID 52417108
[2-(4-Methylpiperazin-1-yl)-2-oxoethyl] methanesulfonate
CID 58168392
[1-Amino-2-(cyanomethylamino)-2-oxoethyl] methanesulfonate
CID 88920504
ethane;2-methoxy-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide;molecular hydrogen
CID 164557341
2-methoxy-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide;molecular hydrogen
CID 170639660
2-(2,5-Dioxopiperazin-1-yl)ethyl methanesulfonate
CID 175098070
2-(3-Oxopiperazin-1-yl)ethyl methanesulfonate
CID 176358920
2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide
CID 47445451
2-methoxy-N-[2-[4-(2-methoxyacetyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 56025087
N-[2-(methanesulfonamido)ethyl]-2-methoxyacetamide
CID 60729923
2-ethoxy-N-(2-(4-(methylsulfonyl)piperazin-1-yl)ethyl)acetamide hydrochloride
CID 71782834

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperazin-1-ylethyl) methanesulfonate?
The IUPAC name of (2-oxo-2-piperazin-1-ylethyl) methanesulfonate (CID 89034071) is (2-oxo-2-piperazin-1-ylethyl) methanesulfonate.
What is the SMILES notation for (2-oxo-2-piperazin-1-ylethyl) methanesulfonate?
The canonical SMILES for (2-oxo-2-piperazin-1-ylethyl) methanesulfonate is CS(=O)(=O)OCC(=O)N1CCNCC1.
What is the InChIKey of (2-oxo-2-piperazin-1-ylethyl) methanesulfonate?
The InChIKey is OLVNMPFRNMALEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4S/c1-14(11,12)13-6-7(10)9-4-2-8-3-5-9/h8H,2-6H2,1H3.
What are the key properties of (2-oxo-2-piperazin-1-ylethyl) methanesulfonate?
(2-oxo-2-piperazin-1-ylethyl) methanesulfonate has a molecular weight of 222.27 g/mol, XLogP of -1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperazin-1-ylethyl) methanesulfonate is sourced from PubChem (CID 89034071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).