4-(4-methylphenyl)sulfonylpiperidine;hydrochloride

C12H18ClNO2S — CID 2761094

IUPAC4-(4-methylphenyl)sulfonylpiperidine;hydrochloride
SMILESCc1ccc(S(=O)(=O)C2CCNCC2)cc1.Cl
InChIInChI=1S/C12H17NO2S.ClH/c1-10-2-4-11(5-3-10)16(14,15)12-6-8-13-9-7-12;/h2-5,12-13H,6-9H2,1H3;1H
InChIKeyHGXSRSRLEBTQIH-UHFFFAOYSA-N
MW275.80 g/mol
LogP1.94
Rot. Bonds2

About 4-(4-methylphenyl)sulfonylpiperidine;hydrochloride

4-(4-methylphenyl)sulfonylpiperidine;hydrochloride (PubChem CID 2761094) has the molecular formula C12H18ClNO2S and a molecular weight of 275.80 g/mol. Its IUPAC name is 4-(4-methylphenyl)sulfonylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-(4-methylphenyl)sulfonylpiperidine;hydrochloride
PubChem CID2761094
Molecular FormulaC12H18ClNO2S
Molecular Weight275.80 g/mol
Exact Mass275.07
IUPAC Name4-(4-methylphenyl)sulfonylpiperidine;hydrochloride
SMILESCc1ccc(S(=O)(=O)C2CCNCC2)cc1.Cl
InChIInChI=1S/C12H17NO2S.ClH/c1-10-2-4-11(5-3-10)16(14,15)12-6-8-13-9-7-12;/h2-5,12-13H,6-9H2,1H3;1H
InChIKeyHGXSRSRLEBTQIH-UHFFFAOYSA-N
XLogP1.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.80
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)sulfonylpiperidine;hydrochloride?
The IUPAC name of 4-(4-methylphenyl)sulfonylpiperidine;hydrochloride (CID 2761094) is 4-(4-methylphenyl)sulfonylpiperidine;hydrochloride.
What is the SMILES notation for 4-(4-methylphenyl)sulfonylpiperidine;hydrochloride?
The canonical SMILES for 4-(4-methylphenyl)sulfonylpiperidine;hydrochloride is Cc1ccc(S(=O)(=O)C2CCNCC2)cc1.Cl.
What is the InChIKey of 4-(4-methylphenyl)sulfonylpiperidine;hydrochloride?
The InChIKey is HGXSRSRLEBTQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S.ClH/c1-10-2-4-11(5-3-10)16(14,15)12-6-8-13-9-7-12;/h2-5,12-13H,6-9H2,1H3;1H.
What are the key properties of 4-(4-methylphenyl)sulfonylpiperidine;hydrochloride?
4-(4-methylphenyl)sulfonylpiperidine;hydrochloride has a molecular weight of 275.80 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)sulfonylpiperidine;hydrochloride is sourced from PubChem (CID 2761094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).