4-(5-tert-butyl-2-methylphenyl)sulfonylpiperazin-2-one

C15H22N2O3S — CID 4881842

IUPAC4-(5-tert-butyl-2-methylphenyl)sulfonylpiperazin-2-one
SMILESCc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCNC(=O)C1
InChIInChI=1S/C15H22N2O3S/c1-11-5-6-12(15(2,3)4)9-13(11)21(19,20)17-8-7-16-14(18)10-17/h5-6,9H,7-8,10H2,1-4H3,(H,16,18)
InChIKeyBXWDEPPDLMJJFP-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.41
Rot. Bonds2

About 4-(5-tert-butyl-2-methylphenyl)sulfonylpiperazin-2-one

4-(5-tert-butyl-2-methylphenyl)sulfonylpiperazin-2-one (PubChem CID 4881842) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-(5-tert-butyl-2-methylphenyl)sulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-(5-tert-butyl-2-methylphenyl)sulfonylpiperazin-2-one
PubChem CID4881842
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name4-(5-tert-butyl-2-methylphenyl)sulfonylpiperazin-2-one
SMILESCc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCNC(=O)C1
InChIInChI=1S/C15H22N2O3S/c1-11-5-6-12(15(2,3)4)9-13(11)21(19,20)17-8-7-16-14(18)10-17/h5-6,9H,7-8,10H2,1-4H3,(H,16,18)
InChIKeyBXWDEPPDLMJJFP-UHFFFAOYSA-N
XLogP1.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Piperazine, 1-((2,5-dimethylphenyl)sulfonyl)-
CID 2384617
2,5-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 852268
4-((2,4-Dimethylphenyl)sulfonyl)piperazin-2-one
CID 8321458
4-(4-Tert-butylphenylsulfonyl)piperazin-2-one
CID 2465157
N-(cyclohexylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide
CID 4791129
N1-cyclopentyl-N2-(2-(1-((2,5-dimethylphenyl)sulfonyl)piperidin-2-yl)ethyl)oxalamide
CID 16829787
4-[2-(Trifluoromethyl)phenyl]sulfonylpiperazin-2-one
CID 2564144
N1-cyclopropyl-N2-(2-(1-((2,5-dimethylphenyl)sulfonyl)piperidin-2-yl)ethyl)oxalamide
CID 18574594
N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide
CID 31481872
N-prop-2-enyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 4824636
4-(2,3,5,6-Tetramethylphenyl)sulfonylpiperazin-2-one
CID 4882689
N-[2-(4-acetylpiperazin-1-yl)ethyl]-5-fluoro-2-methylbenzenesulfonamide
CID 51080470

Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyl-2-methylphenyl)sulfonylpiperazin-2-one?
The IUPAC name of 4-(5-tert-butyl-2-methylphenyl)sulfonylpiperazin-2-one (CID 4881842) is 4-(5-tert-butyl-2-methylphenyl)sulfonylpiperazin-2-one.
What is the SMILES notation for 4-(5-tert-butyl-2-methylphenyl)sulfonylpiperazin-2-one?
The canonical SMILES for 4-(5-tert-butyl-2-methylphenyl)sulfonylpiperazin-2-one is Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-(5-tert-butyl-2-methylphenyl)sulfonylpiperazin-2-one?
The InChIKey is BXWDEPPDLMJJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11-5-6-12(15(2,3)4)9-13(11)21(19,20)17-8-7-16-14(18)10-17/h5-6,9H,7-8,10H2,1-4H3,(H,16,18).
What are the key properties of 4-(5-tert-butyl-2-methylphenyl)sulfonylpiperazin-2-one?
4-(5-tert-butyl-2-methylphenyl)sulfonylpiperazin-2-one has a molecular weight of 310.42 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butyl-2-methylphenyl)sulfonylpiperazin-2-one is sourced from PubChem (CID 4881842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).