4-tert-butylsulfonylpiperazin-2-one

C8H16N2O3S — CID 63688246

IUPAC4-tert-butylsulfonylpiperazin-2-one
SMILESCC(C)(C)S(=O)(=O)N1CCNC(=O)C1
InChIInChI=1S/C8H16N2O3S/c1-8(2,3)14(12,13)10-5-4-9-7(11)6-10/h4-6H2,1-3H3,(H,9,11)
InChIKeyBAHDDEANDBJSRD-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.45
Rot. Bonds1

About 4-tert-butylsulfonylpiperazin-2-one

4-tert-butylsulfonylpiperazin-2-one (PubChem CID 63688246) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is 4-tert-butylsulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-tert-butylsulfonylpiperazin-2-one
PubChem CID63688246
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name4-tert-butylsulfonylpiperazin-2-one
SMILESCC(C)(C)S(=O)(=O)N1CCNC(=O)C1
InChIInChI=1S/C8H16N2O3S/c1-8(2,3)14(12,13)10-5-4-9-7(11)6-10/h4-6H2,1-3H3,(H,9,11)
InChIKeyBAHDDEANDBJSRD-UHFFFAOYSA-N
XLogP-0.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-tert-butylsulfonylpiperazin-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 4-tert-butylsulfonylpiperazin-2-one?
The IUPAC name of 4-tert-butylsulfonylpiperazin-2-one (CID 63688246) is 4-tert-butylsulfonylpiperazin-2-one.
What is the SMILES notation for 4-tert-butylsulfonylpiperazin-2-one?
The canonical SMILES for 4-tert-butylsulfonylpiperazin-2-one is CC(C)(C)S(=O)(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-tert-butylsulfonylpiperazin-2-one?
The InChIKey is BAHDDEANDBJSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-8(2,3)14(12,13)10-5-4-9-7(11)6-10/h4-6H2,1-3H3,(H,9,11).
What are the key properties of 4-tert-butylsulfonylpiperazin-2-one?
4-tert-butylsulfonylpiperazin-2-one has a molecular weight of 220.29 g/mol, XLogP of -0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfonylpiperazin-2-one is sourced from PubChem (CID 63688246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).