3-methylsulfonylpiperidine

C6H13NO2S — CID 22275823

IUPAC3-methylsulfonylpiperidine
SMILESCS(=O)(=O)C1CCCNC1
InChIInChI=1S/C6H13NO2S/c1-10(8,9)6-3-2-4-7-5-6/h6-7H,2-5H2,1H3
InChIKeyPBJLJPZGBKCUKM-UHFFFAOYSA-N
MW163.24 g/mol
LogP-0.22
Rot. Bonds1

About 3-methylsulfonylpiperidine

3-methylsulfonylpiperidine (PubChem CID 22275823) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 3-methylsulfonylpiperidine.

Molecular Properties

Compound Name3-methylsulfonylpiperidine
PubChem CID22275823
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name3-methylsulfonylpiperidine
SMILESCS(=O)(=O)C1CCCNC1
InChIInChI=1S/C6H13NO2S/c1-10(8,9)6-3-2-4-7-5-6/h6-7H,2-5H2,1H3
InChIKeyPBJLJPZGBKCUKM-UHFFFAOYSA-N
XLogP-0.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonylpiperidine?
The IUPAC name of 3-methylsulfonylpiperidine (CID 22275823) is 3-methylsulfonylpiperidine.
What is the SMILES notation for 3-methylsulfonylpiperidine?
The canonical SMILES for 3-methylsulfonylpiperidine is CS(=O)(=O)C1CCCNC1.
What is the InChIKey of 3-methylsulfonylpiperidine?
The InChIKey is PBJLJPZGBKCUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-10(8,9)6-3-2-4-7-5-6/h6-7H,2-5H2,1H3.
What are the key properties of 3-methylsulfonylpiperidine?
3-methylsulfonylpiperidine has a molecular weight of 163.24 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonylpiperidine is sourced from PubChem (CID 22275823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).