2-methyl-1-methylsulfonylpiperidine

C7H15NO2S — CID 4180119

IUPAC2-methyl-1-methylsulfonylpiperidine
SMILESCC1CCCCN1S(C)(=O)=O
InChIInChI=1S/C7H15NO2S/c1-7-5-3-4-6-8(7)11(2,9)10/h7H,3-6H2,1-2H3
InChIKeyDCQSAGOTUMTJGE-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.82
Rot. Bonds1

About 2-methyl-1-methylsulfonylpiperidine

2-methyl-1-methylsulfonylpiperidine (PubChem CID 4180119) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 2-methyl-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name2-methyl-1-methylsulfonylpiperidine
PubChem CID4180119
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name2-methyl-1-methylsulfonylpiperidine
SMILESCC1CCCCN1S(C)(=O)=O
InChIInChI=1S/C7H15NO2S/c1-7-5-3-4-6-8(7)11(2,9)10/h7H,3-6H2,1-2H3
InChIKeyDCQSAGOTUMTJGE-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfonylpiperidine?
The IUPAC name of 2-methyl-1-methylsulfonylpiperidine (CID 4180119) is 2-methyl-1-methylsulfonylpiperidine.
What is the SMILES notation for 2-methyl-1-methylsulfonylpiperidine?
The canonical SMILES for 2-methyl-1-methylsulfonylpiperidine is CC1CCCCN1S(C)(=O)=O.
What is the InChIKey of 2-methyl-1-methylsulfonylpiperidine?
The InChIKey is DCQSAGOTUMTJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-7-5-3-4-6-8(7)11(2,9)10/h7H,3-6H2,1-2H3.
What are the key properties of 2-methyl-1-methylsulfonylpiperidine?
2-methyl-1-methylsulfonylpiperidine has a molecular weight of 177.27 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfonylpiperidine is sourced from PubChem (CID 4180119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).