4-methylsulfonylpiperidine;hydrochloride

C6H14ClNO2S — CID 23061698

IUPAC4-methylsulfonylpiperidine;hydrochloride
SMILESCS(=O)(=O)C1CCNCC1.Cl
InChIInChI=1S/C6H13NO2S.ClH/c1-10(8,9)6-2-4-7-5-3-6;/h6-7H,2-5H2,1H3;1H
InChIKeyWAMYVXDXUNMQDP-UHFFFAOYSA-N
MW199.70 g/mol
LogP0.20
Rot. Bonds1

About 4-methylsulfonylpiperidine;hydrochloride

4-methylsulfonylpiperidine;hydrochloride (PubChem CID 23061698) has the molecular formula C6H14ClNO2S and a molecular weight of 199.70 g/mol. Its IUPAC name is 4-methylsulfonylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-methylsulfonylpiperidine;hydrochloride
PubChem CID23061698
Molecular FormulaC6H14ClNO2S
Molecular Weight199.70 g/mol
Exact Mass199.04
IUPAC Name4-methylsulfonylpiperidine;hydrochloride
SMILESCS(=O)(=O)C1CCNCC1.Cl
InChIInChI=1S/C6H13NO2S.ClH/c1-10(8,9)6-2-4-7-5-3-6;/h6-7H,2-5H2,1H3;1H
InChIKeyWAMYVXDXUNMQDP-UHFFFAOYSA-N
XLogP0.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.70
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonylpiperidine;hydrochloride?
The IUPAC name of 4-methylsulfonylpiperidine;hydrochloride (CID 23061698) is 4-methylsulfonylpiperidine;hydrochloride.
What is the SMILES notation for 4-methylsulfonylpiperidine;hydrochloride?
The canonical SMILES for 4-methylsulfonylpiperidine;hydrochloride is CS(=O)(=O)C1CCNCC1.Cl.
What is the InChIKey of 4-methylsulfonylpiperidine;hydrochloride?
The InChIKey is WAMYVXDXUNMQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S.ClH/c1-10(8,9)6-2-4-7-5-3-6;/h6-7H,2-5H2,1H3;1H.
What are the key properties of 4-methylsulfonylpiperidine;hydrochloride?
4-methylsulfonylpiperidine;hydrochloride has a molecular weight of 199.70 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonylpiperidine;hydrochloride is sourced from PubChem (CID 23061698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).