2,6-dimethyl-1-(2-methylsulfonylethyl)piperazine

C9H20N2O2S — CID 63911805

IUPAC2,6-dimethyl-1-(2-methylsulfonylethyl)piperazine
SMILESCC1CNCC(C)N1CCS(C)(=O)=O
InChIInChI=1S/C9H20N2O2S/c1-8-6-10-7-9(2)11(8)4-5-14(3,12)13/h8-10H,4-7H2,1-3H3
InChIKeyFTXNLRYLAHAIOD-UHFFFAOYSA-N
MW220.34 g/mol
LogP-0.29
Rot. Bonds3

About 2,6-dimethyl-1-(2-methylsulfonylethyl)piperazine

2,6-dimethyl-1-(2-methylsulfonylethyl)piperazine (PubChem CID 63911805) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 2,6-dimethyl-1-(2-methylsulfonylethyl)piperazine.

Molecular Properties

Compound Name2,6-dimethyl-1-(2-methylsulfonylethyl)piperazine
PubChem CID63911805
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name2,6-dimethyl-1-(2-methylsulfonylethyl)piperazine
SMILESCC1CNCC(C)N1CCS(C)(=O)=O
InChIInChI=1S/C9H20N2O2S/c1-8-6-10-7-9(2)11(8)4-5-14(3,12)13/h8-10H,4-7H2,1-3H3
InChIKeyFTXNLRYLAHAIOD-UHFFFAOYSA-N
XLogP-0.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-tert-butylsulfonylethyl)-2,6-dimethylpiperazine
CID 103815489
2-methyl-1-(2-methylsulfonylethyl)piperazine
CID 62674203
(2S,6R)-2,6-dimethyl-1-propylpiperazine;hydrochloride
CID 130710519
(2S,6R)-1-butyl-2,6-dimethylpiperazine;hydrochloride
CID 130616499
(2S,6R)-1-but-3-enyl-2,6-dimethylpiperazine
CID 130652432
4-(2,6-dimethylpiperazin-1-yl)-2-methylbutan-2-ol
CID 79355088
1-ethyl-2,6-dimethylpiperazine;dihydrochloride
CID 122360216
ethane;1-ethyl-2,6-dimethylpiperazine
CID 170737878
2-cyclohexyl-1-(2-methylsulfonylethyl)piperazine
CID 64845062
5,5-diethyl-2-methyl-1-(2-methylsulfonylethyl)piperazine
CID 64860997
1-(2-ethylsulfonylethyl)-2-methylpiperazine
CID 62673181
methyl 4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-2,2-dimethylbutanoate;hydrochloride
CID 120844726

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-(2-methylsulfonylethyl)piperazine?
The IUPAC name of 2,6-dimethyl-1-(2-methylsulfonylethyl)piperazine (CID 63911805) is 2,6-dimethyl-1-(2-methylsulfonylethyl)piperazine.
What is the SMILES notation for 2,6-dimethyl-1-(2-methylsulfonylethyl)piperazine?
The canonical SMILES for 2,6-dimethyl-1-(2-methylsulfonylethyl)piperazine is CC1CNCC(C)N1CCS(C)(=O)=O.
What is the InChIKey of 2,6-dimethyl-1-(2-methylsulfonylethyl)piperazine?
The InChIKey is FTXNLRYLAHAIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-8-6-10-7-9(2)11(8)4-5-14(3,12)13/h8-10H,4-7H2,1-3H3.
What are the key properties of 2,6-dimethyl-1-(2-methylsulfonylethyl)piperazine?
2,6-dimethyl-1-(2-methylsulfonylethyl)piperazine has a molecular weight of 220.34 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-(2-methylsulfonylethyl)piperazine is sourced from PubChem (CID 63911805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).