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

C9H20N2O4S2 — CID 65460748

IUPAC2,2-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine
SMILESCC1(C)CNCCN1S(=O)(=O)CCS(C)(=O)=O
InChIInChI=1S/C9H20N2O4S2/c1-9(2)8-10-4-5-11(9)17(14,15)7-6-16(3,12)13/h10H,4-8H2,1-3H3
InChIKeyILNPZSIBFSEISQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP-0.96
Rot. Bonds4

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

2,2-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine (PubChem CID 65460748) has the molecular formula C9H20N2O4S2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine
PubChem CID65460748
Molecular FormulaC9H20N2O4S2
Molecular Weight284.40 g/mol
Exact Mass284.09
IUPAC Name2,2-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine
SMILESCC1(C)CNCCN1S(=O)(=O)CCS(C)(=O)=O
InChIInChI=1S/C9H20N2O4S2/c1-9(2)8-10-4-5-11(9)17(14,15)7-6-16(3,12)13/h10H,4-8H2,1-3H3
InChIKeyILNPZSIBFSEISQ-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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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine?
The IUPAC name of 2,2-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine (CID 65460748) is 2,2-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine.
What is the SMILES notation for 2,2-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine?
The canonical SMILES for 2,2-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine is CC1(C)CNCCN1S(=O)(=O)CCS(C)(=O)=O.
What is the InChIKey of 2,2-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine?
The InChIKey is ILNPZSIBFSEISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S2/c1-9(2)8-10-4-5-11(9)17(14,15)7-6-16(3,12)13/h10H,4-8H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine?
2,2-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 2,2-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine is sourced from PubChem (CID 65460748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).