1-piperazin-1-ylsulfonyl-4-propan-2-ylpiperazine

C11H24N4O2S — CID 43585405

IUPAC1-piperazin-1-ylsulfonyl-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(S(=O)(=O)N2CCNCC2)CC1
InChIInChI=1S/C11H24N4O2S/c1-11(2)13-7-9-15(10-8-13)18(16,17)14-5-3-12-4-6-14/h11-12H,3-10H2,1-2H3
InChIKeyRYMGDUNPTKHLKL-UHFFFAOYSA-N
MW276.41 g/mol
LogP-0.84
Rot. Bonds3

About 1-piperazin-1-ylsulfonyl-4-propan-2-ylpiperazine

1-piperazin-1-ylsulfonyl-4-propan-2-ylpiperazine (PubChem CID 43585405) has the molecular formula C11H24N4O2S and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-piperazin-1-ylsulfonyl-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-piperazin-1-ylsulfonyl-4-propan-2-ylpiperazine
PubChem CID43585405
Molecular FormulaC11H24N4O2S
Molecular Weight276.41 g/mol
Exact Mass276.16
IUPAC Name1-piperazin-1-ylsulfonyl-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(S(=O)(=O)N2CCNCC2)CC1
InChIInChI=1S/C11H24N4O2S/c1-11(2)13-7-9-15(10-8-13)18(16,17)14-5-3-12-4-6-14/h11-12H,3-10H2,1-2H3
InChIKeyRYMGDUNPTKHLKL-UHFFFAOYSA-N
XLogP-0.84
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-ylsulfonyl-4-propan-2-ylpiperazine?
The IUPAC name of 1-piperazin-1-ylsulfonyl-4-propan-2-ylpiperazine (CID 43585405) is 1-piperazin-1-ylsulfonyl-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-piperazin-1-ylsulfonyl-4-propan-2-ylpiperazine?
The canonical SMILES for 1-piperazin-1-ylsulfonyl-4-propan-2-ylpiperazine is CC(C)N1CCN(S(=O)(=O)N2CCNCC2)CC1.
What is the InChIKey of 1-piperazin-1-ylsulfonyl-4-propan-2-ylpiperazine?
The InChIKey is RYMGDUNPTKHLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2S/c1-11(2)13-7-9-15(10-8-13)18(16,17)14-5-3-12-4-6-14/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-piperazin-1-ylsulfonyl-4-propan-2-ylpiperazine?
1-piperazin-1-ylsulfonyl-4-propan-2-ylpiperazine has a molecular weight of 276.41 g/mol, XLogP of -0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-ylsulfonyl-4-propan-2-ylpiperazine is sourced from PubChem (CID 43585405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).