1,4-bis(piperidin-1-ylsulfonyl)piperazine

C14H28N4O4S2 — CID 2237500

IUPAC1,4-bis(piperidin-1-ylsulfonyl)piperazine
SMILESO=S(=O)(N1CCCCC1)N1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C14H28N4O4S2/c19-23(20,15-7-3-1-4-8-15)17-11-13-18(14-12-17)24(21,22)16-9-5-2-6-10-16/h1-14H2
InChIKeyFFGADJIDAWVMDI-UHFFFAOYSA-N
MW380.54 g/mol
LogP0.07
Rot. Bonds4

About 1,4-bis(piperidin-1-ylsulfonyl)piperazine

1,4-bis(piperidin-1-ylsulfonyl)piperazine (PubChem CID 2237500) has the molecular formula C14H28N4O4S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 1,4-bis(piperidin-1-ylsulfonyl)piperazine.

Molecular Properties

Compound Name1,4-bis(piperidin-1-ylsulfonyl)piperazine
PubChem CID2237500
Molecular FormulaC14H28N4O4S2
Molecular Weight380.54 g/mol
Exact Mass380.16
IUPAC Name1,4-bis(piperidin-1-ylsulfonyl)piperazine
SMILESO=S(=O)(N1CCCCC1)N1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C14H28N4O4S2/c19-23(20,15-7-3-1-4-8-15)17-11-13-18(14-12-17)24(21,22)16-9-5-2-6-10-16/h1-14H2
InChIKeyFFGADJIDAWVMDI-UHFFFAOYSA-N
XLogP0.07
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(piperidin-1-ylsulfonyl)piperazine?
The IUPAC name of 1,4-bis(piperidin-1-ylsulfonyl)piperazine (CID 2237500) is 1,4-bis(piperidin-1-ylsulfonyl)piperazine.
What is the SMILES notation for 1,4-bis(piperidin-1-ylsulfonyl)piperazine?
The canonical SMILES for 1,4-bis(piperidin-1-ylsulfonyl)piperazine is O=S(=O)(N1CCCCC1)N1CCN(S(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of 1,4-bis(piperidin-1-ylsulfonyl)piperazine?
The InChIKey is FFGADJIDAWVMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O4S2/c19-23(20,15-7-3-1-4-8-15)17-11-13-18(14-12-17)24(21,22)16-9-5-2-6-10-16/h1-14H2.
What are the key properties of 1,4-bis(piperidin-1-ylsulfonyl)piperazine?
1,4-bis(piperidin-1-ylsulfonyl)piperazine has a molecular weight of 380.54 g/mol, XLogP of 0.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(piperidin-1-ylsulfonyl)piperazine is sourced from PubChem (CID 2237500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).