4-(methylsulfonylmethyl)piperidine;hydrochloride

C7H16ClNO2S — CID 46737055

IUPAC4-(methylsulfonylmethyl)piperidine;hydrochloride
SMILESCS(=O)(=O)CC1CCNCC1.Cl
InChIInChI=1S/C7H15NO2S.ClH/c1-11(9,10)6-7-2-4-8-5-3-7;/h7-8H,2-6H2,1H3;1H
InChIKeyWFVLDWXGAGSFCJ-UHFFFAOYSA-N
MW213.73 g/mol
LogP0.45
Rot. Bonds2

About 4-(methylsulfonylmethyl)piperidine;hydrochloride

4-(methylsulfonylmethyl)piperidine;hydrochloride (PubChem CID 46737055) has the molecular formula C7H16ClNO2S and a molecular weight of 213.73 g/mol. Its IUPAC name is 4-(methylsulfonylmethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(methylsulfonylmethyl)piperidine;hydrochloride
PubChem CID46737055
Molecular FormulaC7H16ClNO2S
Molecular Weight213.73 g/mol
Exact Mass213.06
IUPAC Name4-(methylsulfonylmethyl)piperidine;hydrochloride
SMILESCS(=O)(=O)CC1CCNCC1.Cl
InChIInChI=1S/C7H15NO2S.ClH/c1-11(9,10)6-7-2-4-8-5-3-7;/h7-8H,2-6H2,1H3;1H
InChIKeyWFVLDWXGAGSFCJ-UHFFFAOYSA-N
XLogP0.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.73
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfonylmethyl)piperidine;hydrochloride?
The IUPAC name of 4-(methylsulfonylmethyl)piperidine;hydrochloride (CID 46737055) is 4-(methylsulfonylmethyl)piperidine;hydrochloride.
What is the SMILES notation for 4-(methylsulfonylmethyl)piperidine;hydrochloride?
The canonical SMILES for 4-(methylsulfonylmethyl)piperidine;hydrochloride is CS(=O)(=O)CC1CCNCC1.Cl.
What is the InChIKey of 4-(methylsulfonylmethyl)piperidine;hydrochloride?
The InChIKey is WFVLDWXGAGSFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S.ClH/c1-11(9,10)6-7-2-4-8-5-3-7;/h7-8H,2-6H2,1H3;1H.
What are the key properties of 4-(methylsulfonylmethyl)piperidine;hydrochloride?
4-(methylsulfonylmethyl)piperidine;hydrochloride has a molecular weight of 213.73 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfonylmethyl)piperidine;hydrochloride is sourced from PubChem (CID 46737055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).