4-tert-butyl-2,2-dimethyl-1-methylsulfonylpiperazine

C11H24N2O2S — CID 59539712

IUPAC4-tert-butyl-2,2-dimethyl-1-methylsulfonylpiperazine
SMILESCC(C)(C)N1CCN(S(C)(=O)=O)C(C)(C)C1
InChIInChI=1S/C11H24N2O2S/c1-10(2,3)12-7-8-13(16(6,14)15)11(4,5)9-12/h7-9H2,1-6H3
InChIKeyGNFLWBUQONAJNS-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.14
Rot. Bonds1

About 4-tert-butyl-2,2-dimethyl-1-methylsulfonylpiperazine

4-tert-butyl-2,2-dimethyl-1-methylsulfonylpiperazine (PubChem CID 59539712) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 4-tert-butyl-2,2-dimethyl-1-methylsulfonylpiperazine.

Molecular Properties

Compound Name4-tert-butyl-2,2-dimethyl-1-methylsulfonylpiperazine
PubChem CID59539712
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name4-tert-butyl-2,2-dimethyl-1-methylsulfonylpiperazine
SMILESCC(C)(C)N1CCN(S(C)(=O)=O)C(C)(C)C1
InChIInChI=1S/C11H24N2O2S/c1-10(2,3)12-7-8-13(16(6,14)15)11(4,5)9-12/h7-9H2,1-6H3
InChIKeyGNFLWBUQONAJNS-UHFFFAOYSA-N
XLogP1.14
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-Dimethylpropyl)-4-methylsulfonylpiperazine
CID 59148133
1-Methylsulfonyl-4-pentan-3-ylpiperazine
CID 130370553
4-Tert-butylpiperazine-1-sulfonyl chloride
CID 114958282
1-Ethyl-4-(methylsulfonyl)piperazine
CID 4205089
1-Methylsulfonyl-4-pent-3-ynylpiperazine
CID 132284318
1-Tert-butyl-4-(trifluoromethylsulfonyl)piperazine
CID 21061568
N-tert-butyl-N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide
CID 70811662
N-[[4-(2-fluoroethyl)-1-propan-2-ylpiperazin-2-yl]methyl]-N-methylmethanesulfonamide
CID 89901755
1-(1-Fluorobutan-2-yl)-4-methylsulfonylpiperazine
CID 130440345
2-(Fluoromethyl)-1-methylsulfonyl-4-propylpiperazine
CID 130440395
1-Butan-2-yl-4-(fluoromethylsulfonyl)piperazine
CID 130440601
4-Tert-butyl-1-methylsulfonyl-2-(trifluoromethyl)piperazine
CID 138497396

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,2-dimethyl-1-methylsulfonylpiperazine?
The IUPAC name of 4-tert-butyl-2,2-dimethyl-1-methylsulfonylpiperazine (CID 59539712) is 4-tert-butyl-2,2-dimethyl-1-methylsulfonylpiperazine.
What is the SMILES notation for 4-tert-butyl-2,2-dimethyl-1-methylsulfonylpiperazine?
The canonical SMILES for 4-tert-butyl-2,2-dimethyl-1-methylsulfonylpiperazine is CC(C)(C)N1CCN(S(C)(=O)=O)C(C)(C)C1.
What is the InChIKey of 4-tert-butyl-2,2-dimethyl-1-methylsulfonylpiperazine?
The InChIKey is GNFLWBUQONAJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-10(2,3)12-7-8-13(16(6,14)15)11(4,5)9-12/h7-9H2,1-6H3.
What are the key properties of 4-tert-butyl-2,2-dimethyl-1-methylsulfonylpiperazine?
4-tert-butyl-2,2-dimethyl-1-methylsulfonylpiperazine has a molecular weight of 248.39 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,2-dimethyl-1-methylsulfonylpiperazine is sourced from PubChem (CID 59539712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).