4-ethylsulfonyl-1,2,6-trimethylpiperazine

C9H20N2O2S — CID 110662378

IUPAC4-ethylsulfonyl-1,2,6-trimethylpiperazine
SMILESCCS(=O)(=O)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C9H20N2O2S/c1-5-14(12,13)11-6-8(2)10(4)9(3)7-11/h8-9H,5-7H2,1-4H3
InChIKeyDTYCQOKXMYQOAD-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.36
Rot. Bonds2

About 4-ethylsulfonyl-1,2,6-trimethylpiperazine

4-ethylsulfonyl-1,2,6-trimethylpiperazine (PubChem CID 110662378) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 4-ethylsulfonyl-1,2,6-trimethylpiperazine.

Molecular Properties

Compound Name4-ethylsulfonyl-1,2,6-trimethylpiperazine
PubChem CID110662378
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name4-ethylsulfonyl-1,2,6-trimethylpiperazine
SMILESCCS(=O)(=O)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C9H20N2O2S/c1-5-14(12,13)11-6-8(2)10(4)9(3)7-11/h8-9H,5-7H2,1-4H3
InChIKeyDTYCQOKXMYQOAD-UHFFFAOYSA-N
XLogP0.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4,5-trimethylpiperazin-1-yl)sulfonylpropan-1-ol
CID 114551588
4-(4-chlorobutylsulfonyl)-1,2,6-trimethylpiperazine
CID 114539403
4-benzylsulfonyl-1,2,6-trimethylpiperazine
CID 110662416
4-ethylsulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine
CID 110413041
(3R,5S)-1-ethylsulfonyl-3,5-dimethylpiperazine
CID 131076534
1,2,6-trimethyl-4-(piperidin-2-ylmethylsulfonyl)piperazine
CID 114537834
1,2,6-trimethyl-4-(2-piperidin-2-ylethylsulfonyl)piperazine
CID 114537116
propane;(2R)-1,2,4,6-tetramethylpiperazine
CID 143144472
(3S,5R)-3,4,5-trimethylpiperazine-1-carboxylic acid
CID 68968098
(2S,6R)-4-ethyl-1,2,6-trimethylpiperazine
CID 138484607
(2S,6R)-4-ethylsulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene
CID 154841528
4-butyl-1,2,6-trimethylpiperazine
CID 126991132

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-1,2,6-trimethylpiperazine?
The IUPAC name of 4-ethylsulfonyl-1,2,6-trimethylpiperazine (CID 110662378) is 4-ethylsulfonyl-1,2,6-trimethylpiperazine.
What is the SMILES notation for 4-ethylsulfonyl-1,2,6-trimethylpiperazine?
The canonical SMILES for 4-ethylsulfonyl-1,2,6-trimethylpiperazine is CCS(=O)(=O)N1CC(C)N(C)C(C)C1.
What is the InChIKey of 4-ethylsulfonyl-1,2,6-trimethylpiperazine?
The InChIKey is DTYCQOKXMYQOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-5-14(12,13)11-6-8(2)10(4)9(3)7-11/h8-9H,5-7H2,1-4H3.
What are the key properties of 4-ethylsulfonyl-1,2,6-trimethylpiperazine?
4-ethylsulfonyl-1,2,6-trimethylpiperazine has a molecular weight of 220.34 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-1,2,6-trimethylpiperazine is sourced from PubChem (CID 110662378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).