2-(2-ethylsulfonylethyl)piperidine

C9H19NO2S — CID 71777983

IUPAC2-(2-ethylsulfonylethyl)piperidine
SMILESCCS(=O)(=O)CCC1CCCCN1
InChIInChI=1S/C9H19NO2S/c1-2-13(11,12)8-6-9-5-3-4-7-10-9/h9-10H,2-8H2,1H3
InChIKeyMRNCRDRKLQCMJO-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.95
Rot. Bonds4

About 2-(2-ethylsulfonylethyl)piperidine

2-(2-ethylsulfonylethyl)piperidine (PubChem CID 71777983) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 2-(2-ethylsulfonylethyl)piperidine.

Molecular Properties

Compound Name2-(2-ethylsulfonylethyl)piperidine
PubChem CID71777983
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name2-(2-ethylsulfonylethyl)piperidine
SMILESCCS(=O)(=O)CCC1CCCCN1
InChIInChI=1S/C9H19NO2S/c1-2-13(11,12)8-6-9-5-3-4-7-10-9/h9-10H,2-8H2,1H3
InChIKeyMRNCRDRKLQCMJO-UHFFFAOYSA-N
XLogP0.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfonylethyl)piperidine?
The IUPAC name of 2-(2-ethylsulfonylethyl)piperidine (CID 71777983) is 2-(2-ethylsulfonylethyl)piperidine.
What is the SMILES notation for 2-(2-ethylsulfonylethyl)piperidine?
The canonical SMILES for 2-(2-ethylsulfonylethyl)piperidine is CCS(=O)(=O)CCC1CCCCN1.
What is the InChIKey of 2-(2-ethylsulfonylethyl)piperidine?
The InChIKey is MRNCRDRKLQCMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-2-13(11,12)8-6-9-5-3-4-7-10-9/h9-10H,2-8H2,1H3.
What are the key properties of 2-(2-ethylsulfonylethyl)piperidine?
2-(2-ethylsulfonylethyl)piperidine has a molecular weight of 205.32 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfonylethyl)piperidine is sourced from PubChem (CID 71777983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).