1,4-bis(propylsulfonyl)piperazine

C10H22N2O4S2 — CID 2900209

IUPAC1,4-bis(propylsulfonyl)piperazine
SMILESCCCS(=O)(=O)N1CCN(S(=O)(=O)CCC)CC1
InChIInChI=1S/C10H22N2O4S2/c1-3-9-17(13,14)11-5-7-12(8-6-11)18(15,16)10-4-2/h3-10H2,1-2H3
InChIKeyVYKSPDOCHTXSIF-UHFFFAOYSA-N
MW298.43 g/mol
LogP0.08
Rot. Bonds6

About 1,4-bis(propylsulfonyl)piperazine

1,4-bis(propylsulfonyl)piperazine (PubChem CID 2900209) has the molecular formula C10H22N2O4S2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1,4-bis(propylsulfonyl)piperazine.

Molecular Properties

Compound Name1,4-bis(propylsulfonyl)piperazine
PubChem CID2900209
Molecular FormulaC10H22N2O4S2
Molecular Weight298.43 g/mol
Exact Mass298.10
IUPAC Name1,4-bis(propylsulfonyl)piperazine
SMILESCCCS(=O)(=O)N1CCN(S(=O)(=O)CCC)CC1
InChIInChI=1S/C10H22N2O4S2/c1-3-9-17(13,14)11-5-7-12(8-6-11)18(15,16)10-4-2/h3-10H2,1-2H3
InChIKeyVYKSPDOCHTXSIF-UHFFFAOYSA-N
XLogP0.08
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(propylsulfonyl)piperazine?
The IUPAC name of 1,4-bis(propylsulfonyl)piperazine (CID 2900209) is 1,4-bis(propylsulfonyl)piperazine.
What is the SMILES notation for 1,4-bis(propylsulfonyl)piperazine?
The canonical SMILES for 1,4-bis(propylsulfonyl)piperazine is CCCS(=O)(=O)N1CCN(S(=O)(=O)CCC)CC1.
What is the InChIKey of 1,4-bis(propylsulfonyl)piperazine?
The InChIKey is VYKSPDOCHTXSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S2/c1-3-9-17(13,14)11-5-7-12(8-6-11)18(15,16)10-4-2/h3-10H2,1-2H3.
What are the key properties of 1,4-bis(propylsulfonyl)piperazine?
1,4-bis(propylsulfonyl)piperazine has a molecular weight of 298.43 g/mol, XLogP of 0.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(propylsulfonyl)piperazine is sourced from PubChem (CID 2900209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).