2-butan-2-yl-5-methyl-1-(2-propylsulfonylethyl)piperazine

C14H30N2O2S — CID 106732802

IUPAC2-butan-2-yl-5-methyl-1-(2-propylsulfonylethyl)piperazine
SMILESCCCS(=O)(=O)CCN1CC(C)NCC1C(C)CC
InChIInChI=1S/C14H30N2O2S/c1-5-8-19(17,18)9-7-16-11-13(4)15-10-14(16)12(3)6-2/h12-15H,5-11H2,1-4H3
InChIKeyDKKQWEJXDZQNDK-UHFFFAOYSA-N
MW290.47 g/mol
LogP1.52
Rot. Bonds7

About 2-butan-2-yl-5-methyl-1-(2-propylsulfonylethyl)piperazine

2-butan-2-yl-5-methyl-1-(2-propylsulfonylethyl)piperazine (PubChem CID 106732802) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is 2-butan-2-yl-5-methyl-1-(2-propylsulfonylethyl)piperazine.

Molecular Properties

Compound Name2-butan-2-yl-5-methyl-1-(2-propylsulfonylethyl)piperazine
PubChem CID106732802
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC Name2-butan-2-yl-5-methyl-1-(2-propylsulfonylethyl)piperazine
SMILESCCCS(=O)(=O)CCN1CC(C)NCC1C(C)CC
InChIInChI=1S/C14H30N2O2S/c1-5-8-19(17,18)9-7-16-11-13(4)15-10-14(16)12(3)6-2/h12-15H,5-11H2,1-4H3
InChIKeyDKKQWEJXDZQNDK-UHFFFAOYSA-N
XLogP1.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-butan-2-yl-1-butyl-5-methylpiperazine
CID 64846296
2,5-di(propan-2-yl)-1-(2-propylsulfonylethyl)piperazine
CID 106732887
1-(2-ethylsulfonylethyl)-5-methyl-2-(2-methylpropyl)piperazine
CID 106732837
2-butan-2-yl-5-methyl-1-(2-methylbutyl)piperazine
CID 64844318
2-butan-2-yl-5-methyl-1-(4,4,4-trifluorobutyl)piperazine
CID 115518778
2-butan-2-yl-5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 112592031
1-benzyl-2-butan-2-yl-5-methylpiperazine
CID 64845112
7-methyl-3-propan-2-yl-1-(2-propylsulfonylethyl)-1,4-diazepane
CID 106733370
5-ethyl-2-(2-methylpropyl)-1-(2-propylsulfonylethyl)piperazine
CID 106732985
1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine
CID 65098411
2-[(2-butan-2-yl-5-methylpiperazin-1-yl)methyl]pyrimidine
CID 64845896
2-butan-2-yl-5-tert-butyl-1-propylpiperazine
CID 64841066

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-methyl-1-(2-propylsulfonylethyl)piperazine?
The IUPAC name of 2-butan-2-yl-5-methyl-1-(2-propylsulfonylethyl)piperazine (CID 106732802) is 2-butan-2-yl-5-methyl-1-(2-propylsulfonylethyl)piperazine.
What is the SMILES notation for 2-butan-2-yl-5-methyl-1-(2-propylsulfonylethyl)piperazine?
The canonical SMILES for 2-butan-2-yl-5-methyl-1-(2-propylsulfonylethyl)piperazine is CCCS(=O)(=O)CCN1CC(C)NCC1C(C)CC.
What is the InChIKey of 2-butan-2-yl-5-methyl-1-(2-propylsulfonylethyl)piperazine?
The InChIKey is DKKQWEJXDZQNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-5-8-19(17,18)9-7-16-11-13(4)15-10-14(16)12(3)6-2/h12-15H,5-11H2,1-4H3.
What are the key properties of 2-butan-2-yl-5-methyl-1-(2-propylsulfonylethyl)piperazine?
2-butan-2-yl-5-methyl-1-(2-propylsulfonylethyl)piperazine has a molecular weight of 290.47 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-methyl-1-(2-propylsulfonylethyl)piperazine is sourced from PubChem (CID 106732802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).