4-tert-butylsulfonylpiperazine-2,6-dione

C8H14N2O4S — CID 66083434

IUPAC4-tert-butylsulfonylpiperazine-2,6-dione
SMILESCC(C)(C)S(=O)(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C8H14N2O4S/c1-8(2,3)15(13,14)10-4-6(11)9-7(12)5-10/h4-5H2,1-3H3,(H,9,11,12)
InChIKeyLESFUXPCNHKSGP-UHFFFAOYSA-N
MW234.28 g/mol
LogP-0.93
Rot. Bonds1

About 4-tert-butylsulfonylpiperazine-2,6-dione

4-tert-butylsulfonylpiperazine-2,6-dione (PubChem CID 66083434) has the molecular formula C8H14N2O4S and a molecular weight of 234.28 g/mol. Its IUPAC name is 4-tert-butylsulfonylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-tert-butylsulfonylpiperazine-2,6-dione
PubChem CID66083434
Molecular FormulaC8H14N2O4S
Molecular Weight234.28 g/mol
Exact Mass234.07
IUPAC Name4-tert-butylsulfonylpiperazine-2,6-dione
SMILESCC(C)(C)S(=O)(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C8H14N2O4S/c1-8(2,3)15(13,14)10-4-6(11)9-7(12)5-10/h4-5H2,1-3H3,(H,9,11,12)
InChIKeyLESFUXPCNHKSGP-UHFFFAOYSA-N
XLogP-0.93
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Butylsulfonylpiperazin-2-one
CID 47371379
4-(4,4,4-Trifluorobutylsulfonyl)piperazine-2,6-dione
CID 83057928
4-Propylsulfonylpiperazin-2-one
CID 47387110
2-(4-acetylpiperazin-1-yl)-N-tert-butylsulfonylacetamide
CID 59428829
4-Methylsulfonylpiperazine-2,6-dione
CID 66084034
4-Butylsulfonylpiperazine-2,6-dione
CID 66084036
2-(4-acetylpiperazin-1-yl)-N-propan-2-ylsulfonylacetamide
CID 70244043
4-Propan-2-ylsulfonylpiperazin-2-one
CID 47371380
2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propane-2-sulfonamide
CID 55232023
N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)propane-2-sulfonamide
CID 55234015
4-(2-Methylpropylsulfonyl)piperazin-2-one
CID 62733499
4-Tert-butylsulfonylpiperazin-2-one
CID 63688246

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylsulfonylpiperazine-2,6-dione?
The IUPAC name of 4-tert-butylsulfonylpiperazine-2,6-dione (CID 66083434) is 4-tert-butylsulfonylpiperazine-2,6-dione.
What is the SMILES notation for 4-tert-butylsulfonylpiperazine-2,6-dione?
The canonical SMILES for 4-tert-butylsulfonylpiperazine-2,6-dione is CC(C)(C)S(=O)(=O)N1CC(=O)NC(=O)C1.
What is the InChIKey of 4-tert-butylsulfonylpiperazine-2,6-dione?
The InChIKey is LESFUXPCNHKSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4S/c1-8(2,3)15(13,14)10-4-6(11)9-7(12)5-10/h4-5H2,1-3H3,(H,9,11,12).
What are the key properties of 4-tert-butylsulfonylpiperazine-2,6-dione?
4-tert-butylsulfonylpiperazine-2,6-dione has a molecular weight of 234.28 g/mol, XLogP of -0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfonylpiperazine-2,6-dione is sourced from PubChem (CID 66083434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).