4-(methylsulfonylmethyl)piperidine

C7H15NO2S — CID 22275402

IUPAC4-(methylsulfonylmethyl)piperidine
SMILESCS(=O)(=O)CC1CCNCC1
InChIInChI=1S/C7H15NO2S/c1-11(9,10)6-7-2-4-8-5-3-7/h7-8H,2-6H2,1H3
InChIKeyLGYCYNNJLVQISG-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.03
Rot. Bonds2

About 4-(methylsulfonylmethyl)piperidine

4-(methylsulfonylmethyl)piperidine (PubChem CID 22275402) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 4-(methylsulfonylmethyl)piperidine.

Molecular Properties

Compound Name4-(methylsulfonylmethyl)piperidine
PubChem CID22275402
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name4-(methylsulfonylmethyl)piperidine
SMILESCS(=O)(=O)CC1CCNCC1
InChIInChI=1S/C7H15NO2S/c1-11(9,10)6-7-2-4-8-5-3-7/h7-8H,2-6H2,1H3
InChIKeyLGYCYNNJLVQISG-UHFFFAOYSA-N
XLogP0.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfonylmethyl)piperidine?
The IUPAC name of 4-(methylsulfonylmethyl)piperidine (CID 22275402) is 4-(methylsulfonylmethyl)piperidine.
What is the SMILES notation for 4-(methylsulfonylmethyl)piperidine?
The canonical SMILES for 4-(methylsulfonylmethyl)piperidine is CS(=O)(=O)CC1CCNCC1.
What is the InChIKey of 4-(methylsulfonylmethyl)piperidine?
The InChIKey is LGYCYNNJLVQISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-11(9,10)6-7-2-4-8-5-3-7/h7-8H,2-6H2,1H3.
What are the key properties of 4-(methylsulfonylmethyl)piperidine?
4-(methylsulfonylmethyl)piperidine has a molecular weight of 177.27 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfonylmethyl)piperidine is sourced from PubChem (CID 22275402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).