1-methyl-4-piperazin-1-ylsulfonylpiperazine

C9H20N4O2S — CID 25312923

IUPAC1-methyl-4-piperazin-1-ylsulfonylpiperazine
SMILESCN1CCN(S(=O)(=O)N2CCNCC2)CC1
InChIInChI=1S/C9H20N4O2S/c1-11-6-8-13(9-7-11)16(14,15)12-4-2-10-3-5-12/h10H,2-9H2,1H3
InChIKeyMJSQWKPWDNVIHJ-UHFFFAOYSA-N
MW248.35 g/mol
LogP-1.62
Rot. Bonds2

About 1-methyl-4-piperazin-1-ylsulfonylpiperazine

1-methyl-4-piperazin-1-ylsulfonylpiperazine (PubChem CID 25312923) has the molecular formula C9H20N4O2S and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-methyl-4-piperazin-1-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-methyl-4-piperazin-1-ylsulfonylpiperazine
PubChem CID25312923
Molecular FormulaC9H20N4O2S
Molecular Weight248.35 g/mol
Exact Mass248.13
IUPAC Name1-methyl-4-piperazin-1-ylsulfonylpiperazine
SMILESCN1CCN(S(=O)(=O)N2CCNCC2)CC1
InChIInChI=1S/C9H20N4O2S/c1-11-6-8-13(9-7-11)16(14,15)12-4-2-10-3-5-12/h10H,2-9H2,1H3
InChIKeyMJSQWKPWDNVIHJ-UHFFFAOYSA-N
XLogP-1.62
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-1.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-piperazin-1-ylsulfonylpiperazine?
The IUPAC name of 1-methyl-4-piperazin-1-ylsulfonylpiperazine (CID 25312923) is 1-methyl-4-piperazin-1-ylsulfonylpiperazine.
What is the SMILES notation for 1-methyl-4-piperazin-1-ylsulfonylpiperazine?
The canonical SMILES for 1-methyl-4-piperazin-1-ylsulfonylpiperazine is CN1CCN(S(=O)(=O)N2CCNCC2)CC1.
What is the InChIKey of 1-methyl-4-piperazin-1-ylsulfonylpiperazine?
The InChIKey is MJSQWKPWDNVIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O2S/c1-11-6-8-13(9-7-11)16(14,15)12-4-2-10-3-5-12/h10H,2-9H2,1H3.
What are the key properties of 1-methyl-4-piperazin-1-ylsulfonylpiperazine?
1-methyl-4-piperazin-1-ylsulfonylpiperazine has a molecular weight of 248.35 g/mol, XLogP of -1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-piperazin-1-ylsulfonylpiperazine is sourced from PubChem (CID 25312923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).