4-(2-methylsulfonylpropanoyl)piperazin-2-one

C8H14N2O4S — CID 71895163

IUPAC4-(2-methylsulfonylpropanoyl)piperazin-2-one
SMILESCC(C(=O)N1CCNC(=O)C1)S(C)(=O)=O
InChIInChI=1S/C8H14N2O4S/c1-6(15(2,13)14)8(12)10-4-3-9-7(11)5-10/h6H,3-5H2,1-2H3,(H,9,11)
InChIKeyLSCWSZIOISYMHP-UHFFFAOYSA-N
MW234.28 g/mol
LogP-1.62
Rot. Bonds2

About 4-(2-methylsulfonylpropanoyl)piperazin-2-one

4-(2-methylsulfonylpropanoyl)piperazin-2-one (PubChem CID 71895163) has the molecular formula C8H14N2O4S and a molecular weight of 234.28 g/mol. Its IUPAC name is 4-(2-methylsulfonylpropanoyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-methylsulfonylpropanoyl)piperazin-2-one
PubChem CID71895163
Molecular FormulaC8H14N2O4S
Molecular Weight234.28 g/mol
Exact Mass234.07
IUPAC Name4-(2-methylsulfonylpropanoyl)piperazin-2-one
SMILESCC(C(=O)N1CCNC(=O)C1)S(C)(=O)=O
InChIInChI=1S/C8H14N2O4S/c1-6(15(2,13)14)8(12)10-4-3-9-7(11)5-10/h6H,3-5H2,1-2H3,(H,9,11)
InChIKeyLSCWSZIOISYMHP-UHFFFAOYSA-N
XLogP-1.62
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 5-1.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfonylpropanoyl)piperazin-2-one?
The IUPAC name of 4-(2-methylsulfonylpropanoyl)piperazin-2-one (CID 71895163) is 4-(2-methylsulfonylpropanoyl)piperazin-2-one.
What is the SMILES notation for 4-(2-methylsulfonylpropanoyl)piperazin-2-one?
The canonical SMILES for 4-(2-methylsulfonylpropanoyl)piperazin-2-one is CC(C(=O)N1CCNC(=O)C1)S(C)(=O)=O.
What is the InChIKey of 4-(2-methylsulfonylpropanoyl)piperazin-2-one?
The InChIKey is LSCWSZIOISYMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4S/c1-6(15(2,13)14)8(12)10-4-3-9-7(11)5-10/h6H,3-5H2,1-2H3,(H,9,11).
What are the key properties of 4-(2-methylsulfonylpropanoyl)piperazin-2-one?
4-(2-methylsulfonylpropanoyl)piperazin-2-one has a molecular weight of 234.28 g/mol, XLogP of -1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfonylpropanoyl)piperazin-2-one is sourced from PubChem (CID 71895163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).