1-ethylsulfonyl-2,5-dimethylpiperazine

C8H18N2O2S — CID 64980469

IUPAC1-ethylsulfonyl-2,5-dimethylpiperazine
SMILESCCS(=O)(=O)N1CC(C)NCC1C
InChIInChI=1S/C8H18N2O2S/c1-4-13(11,12)10-6-7(2)9-5-8(10)3/h7-9H,4-6H2,1-3H3
InChIKeyCYHMAUSEMYWJPJ-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.02
Rot. Bonds2

About 1-ethylsulfonyl-2,5-dimethylpiperazine

1-ethylsulfonyl-2,5-dimethylpiperazine (PubChem CID 64980469) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-ethylsulfonyl-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-ethylsulfonyl-2,5-dimethylpiperazine
PubChem CID64980469
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name1-ethylsulfonyl-2,5-dimethylpiperazine
SMILESCCS(=O)(=O)N1CC(C)NCC1C
InChIInChI=1S/C8H18N2O2S/c1-4-13(11,12)10-6-7(2)9-5-8(10)3/h7-9H,4-6H2,1-3H3
InChIKeyCYHMAUSEMYWJPJ-UHFFFAOYSA-N
XLogP0.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine
CID 64979826
4-(2,5-dimethylpiperazin-1-yl)sulfonyl-2,6-dimethylmorpholine
CID 64980380
2,5-dimethyl-1-(2-methylpiperidin-1-yl)sulfonylpiperazine
CID 64979854
2,5-dimethyl-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazine
CID 64979807
1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine
CID 65098411
2,5-dimethyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
CID 64979716
2,5-dimethyl-1-(3-methylphenyl)sulfonylpiperazine
CID 64979870
(3R,5S)-1-ethylsulfonyl-3,5-dimethylpiperazine
CID 131076534
1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,5-dimethylpiperazine
CID 64979833
(2S,5R)-1-[4-chloro-3-(iodomethyl)phenyl]sulfonyl-2,5-dimethylpiperazine
CID 89334298
1-(4-bromo-2-fluorophenyl)sulfonyl-2,5-dimethylpiperazine;hydrochloride
CID 120712878
1-butylsulfonyl-2-methyl-5-phenylpiperazine
CID 82251741

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-2,5-dimethylpiperazine?
The IUPAC name of 1-ethylsulfonyl-2,5-dimethylpiperazine (CID 64980469) is 1-ethylsulfonyl-2,5-dimethylpiperazine.
What is the SMILES notation for 1-ethylsulfonyl-2,5-dimethylpiperazine?
The canonical SMILES for 1-ethylsulfonyl-2,5-dimethylpiperazine is CCS(=O)(=O)N1CC(C)NCC1C.
What is the InChIKey of 1-ethylsulfonyl-2,5-dimethylpiperazine?
The InChIKey is CYHMAUSEMYWJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-4-13(11,12)10-6-7(2)9-5-8(10)3/h7-9H,4-6H2,1-3H3.
What are the key properties of 1-ethylsulfonyl-2,5-dimethylpiperazine?
1-ethylsulfonyl-2,5-dimethylpiperazine has a molecular weight of 206.31 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-2,5-dimethylpiperazine is sourced from PubChem (CID 64980469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).