3-ethyl-4-piperazin-1-ylsulfonylpiperazin-2-one

C10H20N4O3S — CID 63602552

IUPAC3-ethyl-4-piperazin-1-ylsulfonylpiperazin-2-one
SMILESCCC1C(=O)NCCN1S(=O)(=O)N1CCNCC1
InChIInChI=1S/C10H20N4O3S/c1-2-9-10(15)12-5-8-14(9)18(16,17)13-6-3-11-4-7-13/h9,11H,2-8H2,1H3,(H,12,15)
InChIKeyJQOUBXDFWNXAHY-UHFFFAOYSA-N
MW276.36 g/mol
LogP-1.65
Rot. Bonds3

About 3-ethyl-4-piperazin-1-ylsulfonylpiperazin-2-one

3-ethyl-4-piperazin-1-ylsulfonylpiperazin-2-one (PubChem CID 63602552) has the molecular formula C10H20N4O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-ethyl-4-piperazin-1-ylsulfonylpiperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-piperazin-1-ylsulfonylpiperazin-2-one
PubChem CID63602552
Molecular FormulaC10H20N4O3S
Molecular Weight276.36 g/mol
Exact Mass276.13
IUPAC Name3-ethyl-4-piperazin-1-ylsulfonylpiperazin-2-one
SMILESCCC1C(=O)NCCN1S(=O)(=O)N1CCNCC1
InChIInChI=1S/C10H20N4O3S/c1-2-9-10(15)12-5-8-14(9)18(16,17)13-6-3-11-4-7-13/h9,11H,2-8H2,1H3,(H,12,15)
InChIKeyJQOUBXDFWNXAHY-UHFFFAOYSA-N
XLogP-1.65
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-1.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-piperazin-1-ylsulfonylpiperazin-2-one?
The IUPAC name of 3-ethyl-4-piperazin-1-ylsulfonylpiperazin-2-one (CID 63602552) is 3-ethyl-4-piperazin-1-ylsulfonylpiperazin-2-one.
What is the SMILES notation for 3-ethyl-4-piperazin-1-ylsulfonylpiperazin-2-one?
The canonical SMILES for 3-ethyl-4-piperazin-1-ylsulfonylpiperazin-2-one is CCC1C(=O)NCCN1S(=O)(=O)N1CCNCC1.
What is the InChIKey of 3-ethyl-4-piperazin-1-ylsulfonylpiperazin-2-one?
The InChIKey is JQOUBXDFWNXAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3S/c1-2-9-10(15)12-5-8-14(9)18(16,17)13-6-3-11-4-7-13/h9,11H,2-8H2,1H3,(H,12,15).
What are the key properties of 3-ethyl-4-piperazin-1-ylsulfonylpiperazin-2-one?
3-ethyl-4-piperazin-1-ylsulfonylpiperazin-2-one has a molecular weight of 276.36 g/mol, XLogP of -1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-piperazin-1-ylsulfonylpiperazin-2-one is sourced from PubChem (CID 63602552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).