3,3-dimethyl-4-(2-methylsulfonylpropanoyl)piperazin-2-one

C10H18N2O4S — CID 113236503

IUPAC3,3-dimethyl-4-(2-methylsulfonylpropanoyl)piperazin-2-one
SMILESCC(C(=O)N1CCNC(=O)C1(C)C)S(C)(=O)=O
InChIInChI=1S/C10H18N2O4S/c1-7(17(4,15)16)8(13)12-6-5-11-9(14)10(12,2)3/h7H,5-6H2,1-4H3,(H,11,14)
InChIKeyMYOKHNKVEYMHDS-UHFFFAOYSA-N
MW262.33 g/mol
LogP-0.84
Rot. Bonds2

About 3,3-dimethyl-4-(2-methylsulfonylpropanoyl)piperazin-2-one

3,3-dimethyl-4-(2-methylsulfonylpropanoyl)piperazin-2-one (PubChem CID 113236503) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is 3,3-dimethyl-4-(2-methylsulfonylpropanoyl)piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-(2-methylsulfonylpropanoyl)piperazin-2-one
PubChem CID113236503
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Name3,3-dimethyl-4-(2-methylsulfonylpropanoyl)piperazin-2-one
SMILESCC(C(=O)N1CCNC(=O)C1(C)C)S(C)(=O)=O
InChIInChI=1S/C10H18N2O4S/c1-7(17(4,15)16)8(13)12-6-5-11-9(14)10(12,2)3/h7H,5-6H2,1-4H3,(H,11,14)
InChIKeyMYOKHNKVEYMHDS-UHFFFAOYSA-N
XLogP-0.84
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,3-dimethyl-4-(2-methylsulfonylpropanoyl)piperazin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(2-methylsulfonylpropanoyl)piperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-(2-methylsulfonylpropanoyl)piperazin-2-one (CID 113236503) is 3,3-dimethyl-4-(2-methylsulfonylpropanoyl)piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-(2-methylsulfonylpropanoyl)piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-(2-methylsulfonylpropanoyl)piperazin-2-one is CC(C(=O)N1CCNC(=O)C1(C)C)S(C)(=O)=O.
What is the InChIKey of 3,3-dimethyl-4-(2-methylsulfonylpropanoyl)piperazin-2-one?
The InChIKey is MYOKHNKVEYMHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-7(17(4,15)16)8(13)12-6-5-11-9(14)10(12,2)3/h7H,5-6H2,1-4H3,(H,11,14).
What are the key properties of 3,3-dimethyl-4-(2-methylsulfonylpropanoyl)piperazin-2-one?
3,3-dimethyl-4-(2-methylsulfonylpropanoyl)piperazin-2-one has a molecular weight of 262.33 g/mol, XLogP of -0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(2-methylsulfonylpropanoyl)piperazin-2-one is sourced from PubChem (CID 113236503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).