2,2-dimethyl-3-methylsulfonylpiperazine

C7H16N2O2S — CID 54569211

IUPAC2,2-dimethyl-3-methylsulfonylpiperazine
SMILESCC1(C)NCCNC1S(C)(=O)=O
InChIInChI=1S/C7H16N2O2S/c1-7(2)6(12(3,10)11)8-4-5-9-7/h6,8-9H,4-5H2,1-3H3
InChIKeyFSIUPPXTBMLAOG-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.67
Rot. Bonds1

About 2,2-dimethyl-3-methylsulfonylpiperazine

2,2-dimethyl-3-methylsulfonylpiperazine (PubChem CID 54569211) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 2,2-dimethyl-3-methylsulfonylpiperazine.

Molecular Properties

Compound Name2,2-dimethyl-3-methylsulfonylpiperazine
PubChem CID54569211
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name2,2-dimethyl-3-methylsulfonylpiperazine
SMILESCC1(C)NCCNC1S(C)(=O)=O
InChIInChI=1S/C7H16N2O2S/c1-7(2)6(12(3,10)11)8-4-5-9-7/h6,8-9H,4-5H2,1-3H3
InChIKeyFSIUPPXTBMLAOG-UHFFFAOYSA-N
XLogP-0.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-methylsulfonylpiperazine?
The IUPAC name of 2,2-dimethyl-3-methylsulfonylpiperazine (CID 54569211) is 2,2-dimethyl-3-methylsulfonylpiperazine.
What is the SMILES notation for 2,2-dimethyl-3-methylsulfonylpiperazine?
The canonical SMILES for 2,2-dimethyl-3-methylsulfonylpiperazine is CC1(C)NCCNC1S(C)(=O)=O.
What is the InChIKey of 2,2-dimethyl-3-methylsulfonylpiperazine?
The InChIKey is FSIUPPXTBMLAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-7(2)6(12(3,10)11)8-4-5-9-7/h6,8-9H,4-5H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-methylsulfonylpiperazine?
2,2-dimethyl-3-methylsulfonylpiperazine has a molecular weight of 192.28 g/mol, XLogP of -0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-methylsulfonylpiperazine is sourced from PubChem (CID 54569211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).