2-tert-butyl-1-(3-ethylsulfonylpropyl)-5,5-dimethylpiperazine

C15H32N2O2S — CID 65097540

IUPAC2-tert-butyl-1-(3-ethylsulfonylpropyl)-5,5-dimethylpiperazine
SMILESCCS(=O)(=O)CCCN1CC(C)(C)NCC1C(C)(C)C
InChIInChI=1S/C15H32N2O2S/c1-7-20(18,19)10-8-9-17-12-15(5,6)16-11-13(17)14(2,3)4/h13,16H,7-12H2,1-6H3
InChIKeyYWFIVJVNQXHLBG-UHFFFAOYSA-N
MW304.50 g/mol
LogP1.91
Rot. Bonds5

About 2-tert-butyl-1-(3-ethylsulfonylpropyl)-5,5-dimethylpiperazine

2-tert-butyl-1-(3-ethylsulfonylpropyl)-5,5-dimethylpiperazine (PubChem CID 65097540) has the molecular formula C15H32N2O2S and a molecular weight of 304.50 g/mol. Its IUPAC name is 2-tert-butyl-1-(3-ethylsulfonylpropyl)-5,5-dimethylpiperazine.

Molecular Properties

Compound Name2-tert-butyl-1-(3-ethylsulfonylpropyl)-5,5-dimethylpiperazine
PubChem CID65097540
Molecular FormulaC15H32N2O2S
Molecular Weight304.50 g/mol
Exact Mass304.22
IUPAC Name2-tert-butyl-1-(3-ethylsulfonylpropyl)-5,5-dimethylpiperazine
SMILESCCS(=O)(=O)CCCN1CC(C)(C)NCC1C(C)(C)C
InChIInChI=1S/C15H32N2O2S/c1-7-20(18,19)10-8-9-17-12-15(5,6)16-11-13(17)14(2,3)4/h13,16H,7-12H2,1-6H3
InChIKeyYWFIVJVNQXHLBG-UHFFFAOYSA-N
XLogP1.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethylsulfonylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 65097482
1-(3-ethylsulfonylpropyl)-3,3,7-trimethyl-1,4-diazepane
CID 65096269
2-cyclopropyl-5,5-dimethyl-1-(3-methylsulfonylpropyl)piperazine
CID 64838935
2-tert-butyl-5-ethyl-1-(3-fluoropropyl)-5-methylpiperazine
CID 81113839
1-butyl-2-tert-butyl-5-cyclopropyl-5-methylpiperazine
CID 64877528
5-cyclopropyl-1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine
CID 65097008
2-tert-butyl-5,5-dimethyl-1-(oxolan-2-ylmethyl)piperazine
CID 64839542
2-tert-butyl-5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64840094
2-ethyl-1-(3-ethylsulfonylpropyl)-2,5,5-trimethylpiperazine
CID 65097594
1-benzyl-2-tert-butyl-5,5-dimethylpiperazine
CID 64839732
2-tert-butyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine
CID 64839737
5,5-diethyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine
CID 65097167

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(3-ethylsulfonylpropyl)-5,5-dimethylpiperazine?
The IUPAC name of 2-tert-butyl-1-(3-ethylsulfonylpropyl)-5,5-dimethylpiperazine (CID 65097540) is 2-tert-butyl-1-(3-ethylsulfonylpropyl)-5,5-dimethylpiperazine.
What is the SMILES notation for 2-tert-butyl-1-(3-ethylsulfonylpropyl)-5,5-dimethylpiperazine?
The canonical SMILES for 2-tert-butyl-1-(3-ethylsulfonylpropyl)-5,5-dimethylpiperazine is CCS(=O)(=O)CCCN1CC(C)(C)NCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-(3-ethylsulfonylpropyl)-5,5-dimethylpiperazine?
The InChIKey is YWFIVJVNQXHLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2S/c1-7-20(18,19)10-8-9-17-12-15(5,6)16-11-13(17)14(2,3)4/h13,16H,7-12H2,1-6H3.
What are the key properties of 2-tert-butyl-1-(3-ethylsulfonylpropyl)-5,5-dimethylpiperazine?
2-tert-butyl-1-(3-ethylsulfonylpropyl)-5,5-dimethylpiperazine has a molecular weight of 304.50 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(3-ethylsulfonylpropyl)-5,5-dimethylpiperazine is sourced from PubChem (CID 65097540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).