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

C9H20N2O2S — CID 59606088

IUPAC2,2-dimethyl-1-(2-methylsulfonylethyl)piperazine
SMILESCC1(C)CNCCN1CCS(C)(=O)=O
InChIInChI=1S/C9H20N2O2S/c1-9(2)8-10-4-5-11(9)6-7-14(3,12)13/h10H,4-8H2,1-3H3
InChIKeyWROYOBVWVDSLTQ-UHFFFAOYSA-N
MW220.34 g/mol
LogP-0.29
Rot. Bonds3

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

2,2-dimethyl-1-(2-methylsulfonylethyl)piperazine (PubChem CID 59606088) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-methylsulfonylethyl)piperazine.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-methylsulfonylethyl)piperazine
PubChem CID59606088
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name2,2-dimethyl-1-(2-methylsulfonylethyl)piperazine
SMILESCC1(C)CNCCN1CCS(C)(=O)=O
InChIInChI=1S/C9H20N2O2S/c1-9(2)8-10-4-5-11(9)6-7-14(3,12)13/h10H,4-8H2,1-3H3
InChIKeyWROYOBVWVDSLTQ-UHFFFAOYSA-N
XLogP-0.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2-methylsulfonylethyl)piperazine?
The IUPAC name of 2,2-dimethyl-1-(2-methylsulfonylethyl)piperazine (CID 59606088) is 2,2-dimethyl-1-(2-methylsulfonylethyl)piperazine.
What is the SMILES notation for 2,2-dimethyl-1-(2-methylsulfonylethyl)piperazine?
The canonical SMILES for 2,2-dimethyl-1-(2-methylsulfonylethyl)piperazine is CC1(C)CNCCN1CCS(C)(=O)=O.
What is the InChIKey of 2,2-dimethyl-1-(2-methylsulfonylethyl)piperazine?
The InChIKey is WROYOBVWVDSLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-9(2)8-10-4-5-11(9)6-7-14(3,12)13/h10H,4-8H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(2-methylsulfonylethyl)piperazine?
2,2-dimethyl-1-(2-methylsulfonylethyl)piperazine has a molecular weight of 220.34 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2-methylsulfonylethyl)piperazine is sourced from PubChem (CID 59606088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).