2,5-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine

C9H20N2O4S2 — CID 64979826

IUPAC2,5-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine
SMILESCC1CN(S(=O)(=O)CCS(C)(=O)=O)C(C)CN1
InChIInChI=1S/C9H20N2O4S2/c1-8-7-11(9(2)6-10-8)17(14,15)5-4-16(3,12)13/h8-10H,4-7H2,1-3H3
InChIKeyNSMGRDRNNGIRPB-UHFFFAOYSA-N
MW284.40 g/mol
LogP-0.96
Rot. Bonds4

About 2,5-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine

2,5-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine (PubChem CID 64979826) has the molecular formula C9H20N2O4S2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2,5-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine.

Molecular Properties

Compound Name2,5-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine
PubChem CID64979826
Molecular FormulaC9H20N2O4S2
Molecular Weight284.40 g/mol
Exact Mass284.09
IUPAC Name2,5-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine
SMILESCC1CN(S(=O)(=O)CCS(C)(=O)=O)C(C)CN1
InChIInChI=1S/C9H20N2O4S2/c1-8-7-11(9(2)6-10-8)17(14,15)5-4-16(3,12)13/h8-10H,4-7H2,1-3H3
InChIKeyNSMGRDRNNGIRPB-UHFFFAOYSA-N
XLogP-0.96
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethylsulfonyl-2,5-dimethylpiperazine
CID 64980469
3,5-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine;hydrochloride
CID 119980573
4-(2,5-dimethylpiperazin-1-yl)sulfonyl-2,6-dimethylmorpholine
CID 64980380
2,5-dimethyl-1-(2-methylpiperidin-1-yl)sulfonylpiperazine
CID 64979854
1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine
CID 65098411
1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,5-dimethylpiperazine
CID 64979833
3-methyl-1-(2-methylsulfonylethyl)piperazine
CID 64833986
2,5-dimethyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
CID 64979716
2,5-dimethyl-1-(3-methylphenyl)sulfonylpiperazine
CID 64979870
1-butylsulfonyl-2-methyl-5-phenylpiperazine
CID 82251741
2,5-dimethyl-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazine
CID 64979807
2-cyclohexyl-5-methyl-1-(3-methylsulfonylpropyl)piperazine
CID 64843977

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine?
The IUPAC name of 2,5-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine (CID 64979826) is 2,5-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine.
What is the SMILES notation for 2,5-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine?
The canonical SMILES for 2,5-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine is CC1CN(S(=O)(=O)CCS(C)(=O)=O)C(C)CN1.
What is the InChIKey of 2,5-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine?
The InChIKey is NSMGRDRNNGIRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S2/c1-8-7-11(9(2)6-10-8)17(14,15)5-4-16(3,12)13/h8-10H,4-7H2,1-3H3.
What are the key properties of 2,5-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine?
2,5-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine has a molecular weight of 284.40 g/mol, XLogP of -0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine is sourced from PubChem (CID 64979826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).