1-methyl-4-(4-methylsulfonylpiperazin-1-yl)sulfonylpiperazine

C10H22N4O4S2 — CID 55681737

IUPAC1-methyl-4-(4-methylsulfonylpiperazin-1-yl)sulfonylpiperazine
SMILESCN1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C10H22N4O4S2/c1-11-3-5-13(6-4-11)20(17,18)14-9-7-12(8-10-14)19(2,15)16/h3-10H2,1-2H3
InChIKeySIBKLZJOZCLMSK-UHFFFAOYSA-N
MW326.44 g/mol
LogP-1.94
Rot. Bonds3

About 1-methyl-4-(4-methylsulfonylpiperazin-1-yl)sulfonylpiperazine

1-methyl-4-(4-methylsulfonylpiperazin-1-yl)sulfonylpiperazine (PubChem CID 55681737) has the molecular formula C10H22N4O4S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-methyl-4-(4-methylsulfonylpiperazin-1-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-methyl-4-(4-methylsulfonylpiperazin-1-yl)sulfonylpiperazine
PubChem CID55681737
Molecular FormulaC10H22N4O4S2
Molecular Weight326.44 g/mol
Exact Mass326.11
IUPAC Name1-methyl-4-(4-methylsulfonylpiperazin-1-yl)sulfonylpiperazine
SMILESCN1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C10H22N4O4S2/c1-11-3-5-13(6-4-11)20(17,18)14-9-7-12(8-10-14)19(2,15)16/h3-10H2,1-2H3
InChIKeySIBKLZJOZCLMSK-UHFFFAOYSA-N
XLogP-1.94
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 5-1.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylsulfonylpiperazin-1-yl)sulfonylpiperazine?
The IUPAC name of 1-methyl-4-(4-methylsulfonylpiperazin-1-yl)sulfonylpiperazine (CID 55681737) is 1-methyl-4-(4-methylsulfonylpiperazin-1-yl)sulfonylpiperazine.
What is the SMILES notation for 1-methyl-4-(4-methylsulfonylpiperazin-1-yl)sulfonylpiperazine?
The canonical SMILES for 1-methyl-4-(4-methylsulfonylpiperazin-1-yl)sulfonylpiperazine is CN1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1.
What is the InChIKey of 1-methyl-4-(4-methylsulfonylpiperazin-1-yl)sulfonylpiperazine?
The InChIKey is SIBKLZJOZCLMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O4S2/c1-11-3-5-13(6-4-11)20(17,18)14-9-7-12(8-10-14)19(2,15)16/h3-10H2,1-2H3.
What are the key properties of 1-methyl-4-(4-methylsulfonylpiperazin-1-yl)sulfonylpiperazine?
1-methyl-4-(4-methylsulfonylpiperazin-1-yl)sulfonylpiperazine has a molecular weight of 326.44 g/mol, XLogP of -1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylsulfonylpiperazin-1-yl)sulfonylpiperazine is sourced from PubChem (CID 55681737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).