1-(benzenesulfonyl)-3,5-dimethylpiperidine

C13H19NO2S — CID 574427

IUPAC1-(benzenesulfonyl)-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C13H19NO2S/c1-11-8-12(2)10-14(9-11)17(15,16)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3
InChIKeyABYHIIRUYGAAJE-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.35
Rot. Bonds2

About 1-(benzenesulfonyl)-3,5-dimethylpiperidine

1-(benzenesulfonyl)-3,5-dimethylpiperidine (PubChem CID 574427) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3,5-dimethylpiperidine
PubChem CID574427
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name1-(benzenesulfonyl)-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C13H19NO2S/c1-11-8-12(2)10-14(9-11)17(15,16)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3
InChIKeyABYHIIRUYGAAJE-UHFFFAOYSA-N
XLogP2.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3,5-dimethylpiperidine?
The IUPAC name of 1-(benzenesulfonyl)-3,5-dimethylpiperidine (CID 574427) is 1-(benzenesulfonyl)-3,5-dimethylpiperidine.
What is the SMILES notation for 1-(benzenesulfonyl)-3,5-dimethylpiperidine?
The canonical SMILES for 1-(benzenesulfonyl)-3,5-dimethylpiperidine is CC1CC(C)CN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-3,5-dimethylpiperidine?
The InChIKey is ABYHIIRUYGAAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-11-8-12(2)10-14(9-11)17(15,16)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3.
What are the key properties of 1-(benzenesulfonyl)-3,5-dimethylpiperidine?
1-(benzenesulfonyl)-3,5-dimethylpiperidine has a molecular weight of 253.37 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3,5-dimethylpiperidine is sourced from PubChem (CID 574427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).