2,2-dimethyl-5-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine

C13H28N2O2S — CID 64847410

IUPAC2,2-dimethyl-5-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine
SMILESCC(C)CC1CN(CCS(C)(=O)=O)C(C)(C)CN1
InChIInChI=1S/C13H28N2O2S/c1-11(2)8-12-9-15(6-7-18(5,16)17)13(3,4)10-14-12/h11-12,14H,6-10H2,1-5H3
InChIKeyQFZOJDUAVNRZRF-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.13
Rot. Bonds5

About 2,2-dimethyl-5-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine

2,2-dimethyl-5-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine (PubChem CID 64847410) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 2,2-dimethyl-5-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine.

Molecular Properties

Compound Name2,2-dimethyl-5-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine
PubChem CID64847410
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name2,2-dimethyl-5-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine
SMILESCC(C)CC1CN(CCS(C)(=O)=O)C(C)(C)CN1
InChIInChI=1S/C13H28N2O2S/c1-11(2)8-12-9-15(6-7-18(5,16)17)13(3,4)10-14-12/h11-12,14H,6-10H2,1-5H3
InChIKeyQFZOJDUAVNRZRF-UHFFFAOYSA-N
XLogP1.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-methyl-5-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine
CID 64848952
1-(2-ethylsulfanylethyl)-2,2-dimethyl-5-(2-methylpropyl)piperazine
CID 113474537
2,2-dimethyl-1-(3-methylsulfonylpropyl)-5-propan-2-ylpiperazine
CID 64837894
2,5-bis(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine
CID 64849321
2,2-dimethyl-1-(2-methylpentyl)-5-(2-methylpropyl)piperazine
CID 64849914
5-(2-methylpropyl)-1-(2-methylsulfonylethyl)-2-propylpiperazine
CID 64847770
5-butan-2-yl-1-(2-ethylsulfonylethyl)-2,2-dimethylpiperazine
CID 106733099
1-butan-2-yl-2,2-dimethyl-5-(2-methylpropyl)piperazine
CID 79445054
5-cyclopropyl-2,2-dimethyl-1-(2-propan-2-ylsulfonylethyl)piperazine
CID 106733291
2,2-dimethyl-5-(2-methylpropyl)-1-[(1-methylpyrazol-3-yl)methyl]piperazine
CID 82870890
1-cyclohexyl-2,2-dimethyl-5-(2-methylpropyl)piperazine
CID 82936775
3-methyl-1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
CID 64844749

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine?
The IUPAC name of 2,2-dimethyl-5-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine (CID 64847410) is 2,2-dimethyl-5-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine.
What is the SMILES notation for 2,2-dimethyl-5-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine?
The canonical SMILES for 2,2-dimethyl-5-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine is CC(C)CC1CN(CCS(C)(=O)=O)C(C)(C)CN1.
What is the InChIKey of 2,2-dimethyl-5-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine?
The InChIKey is QFZOJDUAVNRZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-11(2)8-12-9-15(6-7-18(5,16)17)13(3,4)10-14-12/h11-12,14H,6-10H2,1-5H3.
What are the key properties of 2,2-dimethyl-5-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine?
2,2-dimethyl-5-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine has a molecular weight of 276.45 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine is sourced from PubChem (CID 64847410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).