5,5-diethyl-2,2-dimethyl-1-(2-propan-2-ylsulfonylethyl)piperazine

C15H32N2O2S — CID 106733253

IUPAC5,5-diethyl-2,2-dimethyl-1-(2-propan-2-ylsulfonylethyl)piperazine
SMILESCCC1(CC)CN(CCS(=O)(=O)C(C)C)C(C)(C)CN1
InChIInChI=1S/C15H32N2O2S/c1-7-15(8-2)12-17(14(5,6)11-16-15)9-10-20(18,19)13(3)4/h13,16H,7-12H2,1-6H3
InChIKeyNOLCTZBUDQBTNP-UHFFFAOYSA-N
MW304.50 g/mol
LogP2.05
Rot. Bonds6

About 5,5-diethyl-2,2-dimethyl-1-(2-propan-2-ylsulfonylethyl)piperazine

5,5-diethyl-2,2-dimethyl-1-(2-propan-2-ylsulfonylethyl)piperazine (PubChem CID 106733253) has the molecular formula C15H32N2O2S and a molecular weight of 304.50 g/mol. Its IUPAC name is 5,5-diethyl-2,2-dimethyl-1-(2-propan-2-ylsulfonylethyl)piperazine.

Molecular Properties

Compound Name5,5-diethyl-2,2-dimethyl-1-(2-propan-2-ylsulfonylethyl)piperazine
PubChem CID106733253
Molecular FormulaC15H32N2O2S
Molecular Weight304.50 g/mol
Exact Mass304.22
IUPAC Name5,5-diethyl-2,2-dimethyl-1-(2-propan-2-ylsulfonylethyl)piperazine
SMILESCCC1(CC)CN(CCS(=O)(=O)C(C)C)C(C)(C)CN1
InChIInChI=1S/C15H32N2O2S/c1-7-15(8-2)12-17(14(5,6)11-16-15)9-10-20(18,19)13(3)4/h13,16H,7-12H2,1-6H3
InChIKeyNOLCTZBUDQBTNP-UHFFFAOYSA-N
XLogP2.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,5,5-tetramethyl-1-(2-propan-2-ylsulfonylethyl)piperazine
CID 106732951
5,5-diethyl-2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine
CID 64862566
2,2,5,5-tetraethyl-1-(2-ethylsulfonylethyl)piperazine
CID 106733258
5,5-diethyl-2,2-dimethyl-1-(2-propoxyethyl)piperazine
CID 106458801
5,5-diethyl-1-(2-ethylbutyl)-2,2-dimethylpiperazine
CID 82925143
3,3-dimethyl-1-(2-propan-2-ylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
CID 106732966
5-cyclopropyl-2,2-dimethyl-1-(2-propan-2-ylsulfonylethyl)piperazine
CID 106733291
2,5,5-triethyl-1-(3-ethylsulfonylpropyl)-2-methylpiperazine
CID 65097219
3-ethyl-3-methyl-1-(2-propan-2-ylsulfonylethyl)-1,4-diazepane
CID 106733365
5-ethyl-2,2,5-trimethyl-1-(3-methylsulfonylpropyl)piperazine
CID 64849852
2,5,5-triethyl-2-methyl-1-(3-methylbutyl)piperazine
CID 64860265
5,5-diethyl-2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64861803

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-2,2-dimethyl-1-(2-propan-2-ylsulfonylethyl)piperazine?
The IUPAC name of 5,5-diethyl-2,2-dimethyl-1-(2-propan-2-ylsulfonylethyl)piperazine (CID 106733253) is 5,5-diethyl-2,2-dimethyl-1-(2-propan-2-ylsulfonylethyl)piperazine.
What is the SMILES notation for 5,5-diethyl-2,2-dimethyl-1-(2-propan-2-ylsulfonylethyl)piperazine?
The canonical SMILES for 5,5-diethyl-2,2-dimethyl-1-(2-propan-2-ylsulfonylethyl)piperazine is CCC1(CC)CN(CCS(=O)(=O)C(C)C)C(C)(C)CN1.
What is the InChIKey of 5,5-diethyl-2,2-dimethyl-1-(2-propan-2-ylsulfonylethyl)piperazine?
The InChIKey is NOLCTZBUDQBTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2S/c1-7-15(8-2)12-17(14(5,6)11-16-15)9-10-20(18,19)13(3)4/h13,16H,7-12H2,1-6H3.
What are the key properties of 5,5-diethyl-2,2-dimethyl-1-(2-propan-2-ylsulfonylethyl)piperazine?
5,5-diethyl-2,2-dimethyl-1-(2-propan-2-ylsulfonylethyl)piperazine has a molecular weight of 304.50 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-2,2-dimethyl-1-(2-propan-2-ylsulfonylethyl)piperazine is sourced from PubChem (CID 106733253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).