1-methyl-4-[(4-methylpiperazin-1-yl)sulfonylmethylsulfonyl]piperazine

C11H24N4O4S2 — CID 90137965

IUPAC1-methyl-4-[(4-methylpiperazin-1-yl)sulfonylmethylsulfonyl]piperazine
SMILESCN1CCN(S(=O)(=O)CS(=O)(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C11H24N4O4S2/c1-12-3-7-14(8-4-12)20(16,17)11-21(18,19)15-9-5-13(2)6-10-15/h3-11H2,1-2H3
InChIKeyPXYQNXRAPROJFB-UHFFFAOYSA-N
MW340.47 g/mol
LogP-1.90
Rot. Bonds4

About 1-methyl-4-[(4-methylpiperazin-1-yl)sulfonylmethylsulfonyl]piperazine

1-methyl-4-[(4-methylpiperazin-1-yl)sulfonylmethylsulfonyl]piperazine (PubChem CID 90137965) has the molecular formula C11H24N4O4S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-methyl-4-[(4-methylpiperazin-1-yl)sulfonylmethylsulfonyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(4-methylpiperazin-1-yl)sulfonylmethylsulfonyl]piperazine
PubChem CID90137965
Molecular FormulaC11H24N4O4S2
Molecular Weight340.47 g/mol
Exact Mass340.12
IUPAC Name1-methyl-4-[(4-methylpiperazin-1-yl)sulfonylmethylsulfonyl]piperazine
SMILESCN1CCN(S(=O)(=O)CS(=O)(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C11H24N4O4S2/c1-12-3-7-14(8-4-12)20(16,17)11-21(18,19)15-9-5-13(2)6-10-15/h3-11H2,1-2H3
InChIKeyPXYQNXRAPROJFB-UHFFFAOYSA-N
XLogP-1.90
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 5-1.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(4-methylpiperazin-1-yl)sulfonylmethylsulfonyl]piperazine?
The IUPAC name of 1-methyl-4-[(4-methylpiperazin-1-yl)sulfonylmethylsulfonyl]piperazine (CID 90137965) is 1-methyl-4-[(4-methylpiperazin-1-yl)sulfonylmethylsulfonyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(4-methylpiperazin-1-yl)sulfonylmethylsulfonyl]piperazine?
The canonical SMILES for 1-methyl-4-[(4-methylpiperazin-1-yl)sulfonylmethylsulfonyl]piperazine is CN1CCN(S(=O)(=O)CS(=O)(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-[(4-methylpiperazin-1-yl)sulfonylmethylsulfonyl]piperazine?
The InChIKey is PXYQNXRAPROJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O4S2/c1-12-3-7-14(8-4-12)20(16,17)11-21(18,19)15-9-5-13(2)6-10-15/h3-11H2,1-2H3.
What are the key properties of 1-methyl-4-[(4-methylpiperazin-1-yl)sulfonylmethylsulfonyl]piperazine?
1-methyl-4-[(4-methylpiperazin-1-yl)sulfonylmethylsulfonyl]piperazine has a molecular weight of 340.47 g/mol, XLogP of -1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(4-methylpiperazin-1-yl)sulfonylmethylsulfonyl]piperazine is sourced from PubChem (CID 90137965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).