2-methyl-1-(methylsulfonylmethylsulfonyl)piperazine

C7H16N2O4S2 — CID 82842565

IUPAC2-methyl-1-(methylsulfonylmethylsulfonyl)piperazine
SMILESCC1CNCCN1S(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C7H16N2O4S2/c1-7-5-8-3-4-9(7)15(12,13)6-14(2,10)11/h7-8H,3-6H2,1-2H3
InChIKeyBPHFLJJCANUUCQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP-1.39
Rot. Bonds3

About 2-methyl-1-(methylsulfonylmethylsulfonyl)piperazine

2-methyl-1-(methylsulfonylmethylsulfonyl)piperazine (PubChem CID 82842565) has the molecular formula C7H16N2O4S2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-methyl-1-(methylsulfonylmethylsulfonyl)piperazine.

Molecular Properties

Compound Name2-methyl-1-(methylsulfonylmethylsulfonyl)piperazine
PubChem CID82842565
Molecular FormulaC7H16N2O4S2
Molecular Weight256.35 g/mol
Exact Mass256.06
IUPAC Name2-methyl-1-(methylsulfonylmethylsulfonyl)piperazine
SMILESCC1CNCCN1S(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C7H16N2O4S2/c1-7-5-8-3-4-9(7)15(12,13)6-14(2,10)11/h7-8H,3-6H2,1-2H3
InChIKeyBPHFLJJCANUUCQ-UHFFFAOYSA-N
XLogP-1.39
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-1.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-methyl-1-prop-2-enylsulfonylpiperazine
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1-(3,3-dimethylbutylsulfonyl)-2-methylpiperazine
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2-methyl-1-(2-methylbutylsulfonyl)piperazine
CID 119970041
(2S)-1-but-3-enylsulfonyl-2-methylpiperazine
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(2R)-1-(cyclohexylmethylsulfonyl)-2-methylpiperazine;hydrochloride
CID 120717011
1-(2-ethoxyethylsulfonyl)-2-methylpiperazine;hydrochloride
CID 119969815
methyl 3-[(2S)-2-methylpiperazin-1-yl]sulfonylpropanoate
CID 82755874
2-methyl-1-pyrrolidin-1-ylsulfonylpiperazine;hydrochloride
CID 119969723
2-methyl-1-(2-methylsulfonylethyl)piperazine
CID 62674203
4-[[(2R)-2-methylpiperazin-1-yl]sulfonylmethyl]benzonitrile
CID 82755488
1-butylsulfonyl-2-methyl-1,4-diazepane
CID 82243284
(2S)-1-(4-iodophenyl)sulfonyl-2-methylpiperazine
CID 82755760

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(methylsulfonylmethylsulfonyl)piperazine?
The IUPAC name of 2-methyl-1-(methylsulfonylmethylsulfonyl)piperazine (CID 82842565) is 2-methyl-1-(methylsulfonylmethylsulfonyl)piperazine.
What is the SMILES notation for 2-methyl-1-(methylsulfonylmethylsulfonyl)piperazine?
The canonical SMILES for 2-methyl-1-(methylsulfonylmethylsulfonyl)piperazine is CC1CNCCN1S(=O)(=O)CS(C)(=O)=O.
What is the InChIKey of 2-methyl-1-(methylsulfonylmethylsulfonyl)piperazine?
The InChIKey is BPHFLJJCANUUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S2/c1-7-5-8-3-4-9(7)15(12,13)6-14(2,10)11/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-methyl-1-(methylsulfonylmethylsulfonyl)piperazine?
2-methyl-1-(methylsulfonylmethylsulfonyl)piperazine has a molecular weight of 256.35 g/mol, XLogP of -1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(methylsulfonylmethylsulfonyl)piperazine is sourced from PubChem (CID 82842565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).