4-methyl-1-methylsulfonylpiperidine

C7H15NO2S — CID 706832

IUPAC4-methyl-1-methylsulfonylpiperidine
SMILESCC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C7H15NO2S/c1-7-3-5-8(6-4-7)11(2,9)10/h7H,3-6H2,1-2H3
InChIKeyGPHUVXVNXOIZLF-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.68
Rot. Bonds1

About 4-methyl-1-methylsulfonylpiperidine

4-methyl-1-methylsulfonylpiperidine (PubChem CID 706832) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 4-methyl-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4-methyl-1-methylsulfonylpiperidine
PubChem CID706832
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name4-methyl-1-methylsulfonylpiperidine
SMILESCC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C7H15NO2S/c1-7-3-5-8(6-4-7)11(2,9)10/h7H,3-6H2,1-2H3
InChIKeyGPHUVXVNXOIZLF-UHFFFAOYSA-N
XLogP0.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-methylsulfonylpiperidine?
The IUPAC name of 4-methyl-1-methylsulfonylpiperidine (CID 706832) is 4-methyl-1-methylsulfonylpiperidine.
What is the SMILES notation for 4-methyl-1-methylsulfonylpiperidine?
The canonical SMILES for 4-methyl-1-methylsulfonylpiperidine is CC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 4-methyl-1-methylsulfonylpiperidine?
The InChIKey is GPHUVXVNXOIZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-7-3-5-8(6-4-7)11(2,9)10/h7H,3-6H2,1-2H3.
What are the key properties of 4-methyl-1-methylsulfonylpiperidine?
4-methyl-1-methylsulfonylpiperidine has a molecular weight of 177.27 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-methylsulfonylpiperidine is sourced from PubChem (CID 706832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).