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

C10H22N4O2S — CID 515614

IUPAC1-methyl-4-(4-methylpiperazin-1-yl)sulfonylpiperazine
SMILESCN1CCN(S(=O)(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C10H22N4O2S/c1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14/h3-10H2,1-2H3
InChIKeyNKQNKUARYQKWCW-UHFFFAOYSA-N
MW262.38 g/mol
LogP-1.27
Rot. Bonds2

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

1-methyl-4-(4-methylpiperazin-1-yl)sulfonylpiperazine (PubChem CID 515614) has the molecular formula C10H22N4O2S and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-methyl-4-(4-methylpiperazin-1-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-methyl-4-(4-methylpiperazin-1-yl)sulfonylpiperazine
PubChem CID515614
Molecular FormulaC10H22N4O2S
Molecular Weight262.38 g/mol
Exact Mass262.15
IUPAC Name1-methyl-4-(4-methylpiperazin-1-yl)sulfonylpiperazine
SMILESCN1CCN(S(=O)(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C10H22N4O2S/c1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14/h3-10H2,1-2H3
InChIKeyNKQNKUARYQKWCW-UHFFFAOYSA-N
XLogP-1.27
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 5-1.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylpiperazin-1-yl)sulfonylpiperazine?
The IUPAC name of 1-methyl-4-(4-methylpiperazin-1-yl)sulfonylpiperazine (CID 515614) is 1-methyl-4-(4-methylpiperazin-1-yl)sulfonylpiperazine.
What is the SMILES notation for 1-methyl-4-(4-methylpiperazin-1-yl)sulfonylpiperazine?
The canonical SMILES for 1-methyl-4-(4-methylpiperazin-1-yl)sulfonylpiperazine is CN1CCN(S(=O)(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-(4-methylpiperazin-1-yl)sulfonylpiperazine?
The InChIKey is NKQNKUARYQKWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2S/c1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14/h3-10H2,1-2H3.
What are the key properties of 1-methyl-4-(4-methylpiperazin-1-yl)sulfonylpiperazine?
1-methyl-4-(4-methylpiperazin-1-yl)sulfonylpiperazine has a molecular weight of 262.38 g/mol, XLogP of -1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylpiperazin-1-yl)sulfonylpiperazine is sourced from PubChem (CID 515614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).