4-ethylsulfonyl-3,3-dimethylpiperazin-2-one

C8H16N2O3S — CID 63607786

IUPAC4-ethylsulfonyl-3,3-dimethylpiperazin-2-one
SMILESCCS(=O)(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C8H16N2O3S/c1-4-14(12,13)10-6-5-9-7(11)8(10,2)3/h4-6H2,1-3H3,(H,9,11)
InChIKeyLYRAPASVRBLOFY-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.45
Rot. Bonds2

About 4-ethylsulfonyl-3,3-dimethylpiperazin-2-one

4-ethylsulfonyl-3,3-dimethylpiperazin-2-one (PubChem CID 63607786) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is 4-ethylsulfonyl-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-ethylsulfonyl-3,3-dimethylpiperazin-2-one
PubChem CID63607786
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name4-ethylsulfonyl-3,3-dimethylpiperazin-2-one
SMILESCCS(=O)(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C8H16N2O3S/c1-4-14(12,13)10-6-5-9-7(11)8(10,2)3/h4-6H2,1-3H3,(H,9,11)
InChIKeyLYRAPASVRBLOFY-UHFFFAOYSA-N
XLogP-0.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-ethylsulfonyl-3,3-dimethylpiperazin-2-one (CID 63607786) is 4-ethylsulfonyl-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-ethylsulfonyl-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-ethylsulfonyl-3,3-dimethylpiperazin-2-one is CCS(=O)(=O)N1CCNC(=O)C1(C)C.
What is the InChIKey of 4-ethylsulfonyl-3,3-dimethylpiperazin-2-one?
The InChIKey is LYRAPASVRBLOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-4-14(12,13)10-6-5-9-7(11)8(10,2)3/h4-6H2,1-3H3,(H,9,11).
What are the key properties of 4-ethylsulfonyl-3,3-dimethylpiperazin-2-one?
4-ethylsulfonyl-3,3-dimethylpiperazin-2-one has a molecular weight of 220.29 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63607786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).