1-(benzenesulfonyl)-2-ethylpiperidine

C13H19NO2S — CID 2839599

IUPAC1-(benzenesulfonyl)-2-ethylpiperidine
SMILESCCC1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H19NO2S/c1-2-12-8-6-7-11-14(12)17(15,16)13-9-4-3-5-10-13/h3-5,9-10,12H,2,6-8,11H2,1H3
InChIKeyPZIFIOGAKYDXKM-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.64
Rot. Bonds3

About 1-(benzenesulfonyl)-2-ethylpiperidine

1-(benzenesulfonyl)-2-ethylpiperidine (PubChem CID 2839599) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-ethylpiperidine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-ethylpiperidine
PubChem CID2839599
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name1-(benzenesulfonyl)-2-ethylpiperidine
SMILESCCC1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H19NO2S/c1-2-12-8-6-7-11-14(12)17(15,16)13-9-4-3-5-10-13/h3-5,9-10,12H,2,6-8,11H2,1H3
InChIKeyPZIFIOGAKYDXKM-UHFFFAOYSA-N
XLogP2.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-ethylpiperidine?
The IUPAC name of 1-(benzenesulfonyl)-2-ethylpiperidine (CID 2839599) is 1-(benzenesulfonyl)-2-ethylpiperidine.
What is the SMILES notation for 1-(benzenesulfonyl)-2-ethylpiperidine?
The canonical SMILES for 1-(benzenesulfonyl)-2-ethylpiperidine is CCC1CCCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-2-ethylpiperidine?
The InChIKey is PZIFIOGAKYDXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-2-12-8-6-7-11-14(12)17(15,16)13-9-4-3-5-10-13/h3-5,9-10,12H,2,6-8,11H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-2-ethylpiperidine?
1-(benzenesulfonyl)-2-ethylpiperidine has a molecular weight of 253.37 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-ethylpiperidine is sourced from PubChem (CID 2839599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).