1-(4-ethylsulfonylpiperazin-1-yl)-2-hydroxyethanone

C8H16N2O4S — CID 46199856

IUPAC1-(4-ethylsulfonylpiperazin-1-yl)-2-hydroxyethanone
SMILESCCS(=O)(=O)N1CCN(C(=O)CO)CC1
InChIInChI=1S/C8H16N2O4S/c1-2-15(13,14)10-5-3-9(4-6-10)8(12)7-11/h11H,2-7H2,1H3
InChIKeyNLFQUIBUIGZYER-UHFFFAOYSA-N
MW236.29 g/mol
LogP-1.53
Rot. Bonds3

About 1-(4-ethylsulfonylpiperazin-1-yl)-2-hydroxyethanone

1-(4-ethylsulfonylpiperazin-1-yl)-2-hydroxyethanone (PubChem CID 46199856) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-(4-ethylsulfonylpiperazin-1-yl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(4-ethylsulfonylpiperazin-1-yl)-2-hydroxyethanone
PubChem CID46199856
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name1-(4-ethylsulfonylpiperazin-1-yl)-2-hydroxyethanone
SMILESCCS(=O)(=O)N1CCN(C(=O)CO)CC1
InChIInChI=1S/C8H16N2O4S/c1-2-15(13,14)10-5-3-9(4-6-10)8(12)7-11/h11H,2-7H2,1H3
InChIKeyNLFQUIBUIGZYER-UHFFFAOYSA-N
XLogP-1.53
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-1.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfonylpiperazin-1-yl)-2-hydroxyethanone?
The IUPAC name of 1-(4-ethylsulfonylpiperazin-1-yl)-2-hydroxyethanone (CID 46199856) is 1-(4-ethylsulfonylpiperazin-1-yl)-2-hydroxyethanone.
What is the SMILES notation for 1-(4-ethylsulfonylpiperazin-1-yl)-2-hydroxyethanone?
The canonical SMILES for 1-(4-ethylsulfonylpiperazin-1-yl)-2-hydroxyethanone is CCS(=O)(=O)N1CCN(C(=O)CO)CC1.
What is the InChIKey of 1-(4-ethylsulfonylpiperazin-1-yl)-2-hydroxyethanone?
The InChIKey is NLFQUIBUIGZYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-2-15(13,14)10-5-3-9(4-6-10)8(12)7-11/h11H,2-7H2,1H3.
What are the key properties of 1-(4-ethylsulfonylpiperazin-1-yl)-2-hydroxyethanone?
1-(4-ethylsulfonylpiperazin-1-yl)-2-hydroxyethanone has a molecular weight of 236.29 g/mol, XLogP of -1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfonylpiperazin-1-yl)-2-hydroxyethanone is sourced from PubChem (CID 46199856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).