5,5-diethyl-2-methyl-1-(2-methylsulfonylethyl)piperazine

C12H26N2O2S — CID 64860997

IUPAC5,5-diethyl-2-methyl-1-(2-methylsulfonylethyl)piperazine
SMILESCCC1(CC)CN(CCS(C)(=O)=O)C(C)CN1
InChIInChI=1S/C12H26N2O2S/c1-5-12(6-2)10-14(11(3)9-13-12)7-8-17(4,15)16/h11,13H,5-10H2,1-4H3
InChIKeyBQVQGGUTHVLVJU-UHFFFAOYSA-N
MW262.42 g/mol
LogP0.88
Rot. Bonds5

About 5,5-diethyl-2-methyl-1-(2-methylsulfonylethyl)piperazine

5,5-diethyl-2-methyl-1-(2-methylsulfonylethyl)piperazine (PubChem CID 64860997) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 5,5-diethyl-2-methyl-1-(2-methylsulfonylethyl)piperazine.

Molecular Properties

Compound Name5,5-diethyl-2-methyl-1-(2-methylsulfonylethyl)piperazine
PubChem CID64860997
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name5,5-diethyl-2-methyl-1-(2-methylsulfonylethyl)piperazine
SMILESCCC1(CC)CN(CCS(C)(=O)=O)C(C)CN1
InChIInChI=1S/C12H26N2O2S/c1-5-12(6-2)10-14(11(3)9-13-12)7-8-17(4,15)16/h11,13H,5-10H2,1-4H3
InChIKeyBQVQGGUTHVLVJU-UHFFFAOYSA-N
XLogP0.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5,5-triethyl-1-(2-methylsulfonylethyl)piperazine
CID 64861002
5,5-diethyl-2-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine
CID 64860633
3,3-diethyl-7-methyl-1-(3-methylsulfonylpropyl)-1,4-diazepane
CID 64871817
5,5-diethyl-2-methyl-1-(3-methylbutyl)piperazine
CID 64862336
5,5-diethyl-2-methyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64860416
2-methyl-1-(2-methylsulfonylethyl)piperazine
CID 62674203
5,5-diethyl-1-[3-(2-methoxyethoxy)propyl]-2-methylpiperazine
CID 103414386
2-cyclopropyl-5,5-diethyl-1-(2-propylsulfonylethyl)piperazine
CID 106733248
5,5-diethyl-2-propyl-1-(2-propylsulfonylethyl)piperazine
CID 106733240
5-cyclopropyl-2,5-dimethyl-1-(2-propylsulfonylethyl)piperazine
CID 106733202
5,5-diethyl-2-methyl-1-(3-phenylpropyl)piperazine
CID 64861186
5,5-diethyl-2-methyl-1-(2-methylcyclopropyl)piperazine
CID 64948522

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-2-methyl-1-(2-methylsulfonylethyl)piperazine?
The IUPAC name of 5,5-diethyl-2-methyl-1-(2-methylsulfonylethyl)piperazine (CID 64860997) is 5,5-diethyl-2-methyl-1-(2-methylsulfonylethyl)piperazine.
What is the SMILES notation for 5,5-diethyl-2-methyl-1-(2-methylsulfonylethyl)piperazine?
The canonical SMILES for 5,5-diethyl-2-methyl-1-(2-methylsulfonylethyl)piperazine is CCC1(CC)CN(CCS(C)(=O)=O)C(C)CN1.
What is the InChIKey of 5,5-diethyl-2-methyl-1-(2-methylsulfonylethyl)piperazine?
The InChIKey is BQVQGGUTHVLVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-5-12(6-2)10-14(11(3)9-13-12)7-8-17(4,15)16/h11,13H,5-10H2,1-4H3.
What are the key properties of 5,5-diethyl-2-methyl-1-(2-methylsulfonylethyl)piperazine?
5,5-diethyl-2-methyl-1-(2-methylsulfonylethyl)piperazine has a molecular weight of 262.42 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-2-methyl-1-(2-methylsulfonylethyl)piperazine is sourced from PubChem (CID 64860997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).