4-(4-tert-butylphenyl)sulfonylpiperidine;hydrochloride

C15H24ClNO2S — CID 18538635

IUPAC4-(4-tert-butylphenyl)sulfonylpiperidine;hydrochloride
SMILESCC(C)(C)c1ccc(S(=O)(=O)C2CCNCC2)cc1.Cl
InChIInChI=1S/C15H23NO2S.ClH/c1-15(2,3)12-4-6-13(7-5-12)19(17,18)14-8-10-16-11-9-14;/h4-7,14,16H,8-11H2,1-3H3;1H
InChIKeyPGDPHPVMYSHBGE-UHFFFAOYSA-N
MW317.88 g/mol
LogP2.93
Rot. Bonds2

About 4-(4-tert-butylphenyl)sulfonylpiperidine;hydrochloride

4-(4-tert-butylphenyl)sulfonylpiperidine;hydrochloride (PubChem CID 18538635) has the molecular formula C15H24ClNO2S and a molecular weight of 317.88 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)sulfonylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)sulfonylpiperidine;hydrochloride
PubChem CID18538635
Molecular FormulaC15H24ClNO2S
Molecular Weight317.88 g/mol
Exact Mass317.12
IUPAC Name4-(4-tert-butylphenyl)sulfonylpiperidine;hydrochloride
SMILESCC(C)(C)c1ccc(S(=O)(=O)C2CCNCC2)cc1.Cl
InChIInChI=1S/C15H23NO2S.ClH/c1-15(2,3)12-4-6-13(7-5-12)19(17,18)14-8-10-16-11-9-14;/h4-7,14,16H,8-11H2,1-3H3;1H
InChIKeyPGDPHPVMYSHBGE-UHFFFAOYSA-N
XLogP2.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.88
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)sulfonylpiperidine;hydrochloride?
The IUPAC name of 4-(4-tert-butylphenyl)sulfonylpiperidine;hydrochloride (CID 18538635) is 4-(4-tert-butylphenyl)sulfonylpiperidine;hydrochloride.
What is the SMILES notation for 4-(4-tert-butylphenyl)sulfonylpiperidine;hydrochloride?
The canonical SMILES for 4-(4-tert-butylphenyl)sulfonylpiperidine;hydrochloride is CC(C)(C)c1ccc(S(=O)(=O)C2CCNCC2)cc1.Cl.
What is the InChIKey of 4-(4-tert-butylphenyl)sulfonylpiperidine;hydrochloride?
The InChIKey is PGDPHPVMYSHBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S.ClH/c1-15(2,3)12-4-6-13(7-5-12)19(17,18)14-8-10-16-11-9-14;/h4-7,14,16H,8-11H2,1-3H3;1H.
What are the key properties of 4-(4-tert-butylphenyl)sulfonylpiperidine;hydrochloride?
4-(4-tert-butylphenyl)sulfonylpiperidine;hydrochloride has a molecular weight of 317.88 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)sulfonylpiperidine;hydrochloride is sourced from PubChem (CID 18538635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).