4-(4-tert-butylphenyl)sulfonylpiperazin-2-one

C14H20N2O3S — CID 2465157

IUPAC4-(4-tert-butylphenyl)sulfonylpiperazin-2-one
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1
InChIInChI=1S/C14H20N2O3S/c1-14(2,3)11-4-6-12(7-5-11)20(18,19)16-9-8-15-13(17)10-16/h4-7H,8-10H2,1-3H3,(H,15,17)
InChIKeyYLIXTVOJMQXINK-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.10
Rot. Bonds2

About 4-(4-tert-butylphenyl)sulfonylpiperazin-2-one

4-(4-tert-butylphenyl)sulfonylpiperazin-2-one (PubChem CID 2465157) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)sulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)sulfonylpiperazin-2-one
PubChem CID2465157
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name4-(4-tert-butylphenyl)sulfonylpiperazin-2-one
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1
InChIInChI=1S/C14H20N2O3S/c1-14(2,3)11-4-6-12(7-5-11)20(18,19)16-9-8-15-13(17)10-16/h4-7H,8-10H2,1-3H3,(H,15,17)
InChIKeyYLIXTVOJMQXINK-UHFFFAOYSA-N
XLogP1.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-aminophenyl)sulfonylpiperazin-2-one
CID 16783955
4-[4-(methylamino)phenyl]sulfonylpiperazin-2-one
CID 43154652
4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one
CID 62144052
4-[4-(trifluoromethylsulfanyl)phenyl]sulfonylpiperazin-2-one
CID 48560421
4-(4-isocyanatophenyl)sulfonylpiperazin-2-one
CID 53417854
2-methyl-2-[methyl-[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]propanoic acid
CID 119200443
1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 4510553
4-(4-iodophenyl)sulfonyl-1,4-diazepan-2-one
CID 62898004
(2S)-3-methyl-2-[[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]butanoic acid
CID 119360362
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55778074
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 119573926
N-(4-chlorophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 31856760

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)sulfonylpiperazin-2-one?
The IUPAC name of 4-(4-tert-butylphenyl)sulfonylpiperazin-2-one (CID 2465157) is 4-(4-tert-butylphenyl)sulfonylpiperazin-2-one.
What is the SMILES notation for 4-(4-tert-butylphenyl)sulfonylpiperazin-2-one?
The canonical SMILES for 4-(4-tert-butylphenyl)sulfonylpiperazin-2-one is CC(C)(C)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)sulfonylpiperazin-2-one?
The InChIKey is YLIXTVOJMQXINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-14(2,3)11-4-6-12(7-5-11)20(18,19)16-9-8-15-13(17)10-16/h4-7H,8-10H2,1-3H3,(H,15,17).
What are the key properties of 4-(4-tert-butylphenyl)sulfonylpiperazin-2-one?
4-(4-tert-butylphenyl)sulfonylpiperazin-2-one has a molecular weight of 296.39 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)sulfonylpiperazin-2-one is sourced from PubChem (CID 2465157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).