1-ethyl-4-methylsulfonylpiperazin-2-one

C7H14N2O3S — CID 90770600

IUPAC1-ethyl-4-methylsulfonylpiperazin-2-one
SMILESCCN1CCN(S(C)(=O)=O)CC1=O
InChIInChI=1S/C7H14N2O3S/c1-3-8-4-5-9(6-7(8)10)13(2,11)12/h3-6H2,1-2H3
InChIKeyARDXANMCCUHGGS-UHFFFAOYSA-N
MW206.27 g/mol
LogP-0.89
Rot. Bonds2

About 1-ethyl-4-methylsulfonylpiperazin-2-one

1-ethyl-4-methylsulfonylpiperazin-2-one (PubChem CID 90770600) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is 1-ethyl-4-methylsulfonylpiperazin-2-one.

Molecular Properties

Compound Name1-ethyl-4-methylsulfonylpiperazin-2-one
PubChem CID90770600
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name1-ethyl-4-methylsulfonylpiperazin-2-one
SMILESCCN1CCN(S(C)(=O)=O)CC1=O
InChIInChI=1S/C7H14N2O3S/c1-3-8-4-5-9(6-7(8)10)13(2,11)12/h3-6H2,1-2H3
InChIKeyARDXANMCCUHGGS-UHFFFAOYSA-N
XLogP-0.89
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-0.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methylsulfonylpiperazin-2-one?
The IUPAC name of 1-ethyl-4-methylsulfonylpiperazin-2-one (CID 90770600) is 1-ethyl-4-methylsulfonylpiperazin-2-one.
What is the SMILES notation for 1-ethyl-4-methylsulfonylpiperazin-2-one?
The canonical SMILES for 1-ethyl-4-methylsulfonylpiperazin-2-one is CCN1CCN(S(C)(=O)=O)CC1=O.
What is the InChIKey of 1-ethyl-4-methylsulfonylpiperazin-2-one?
The InChIKey is ARDXANMCCUHGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-3-8-4-5-9(6-7(8)10)13(2,11)12/h3-6H2,1-2H3.
What are the key properties of 1-ethyl-4-methylsulfonylpiperazin-2-one?
1-ethyl-4-methylsulfonylpiperazin-2-one has a molecular weight of 206.27 g/mol, XLogP of -0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methylsulfonylpiperazin-2-one is sourced from PubChem (CID 90770600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).