2-(1-ethylsulfonylethyl)piperidine

C9H19NO2S — CID 121452855

IUPAC2-(1-ethylsulfonylethyl)piperidine
SMILESCCS(=O)(=O)C(C)C1CCCCN1
InChIInChI=1S/C9H19NO2S/c1-3-13(11,12)8(2)9-6-4-5-7-10-9/h8-10H,3-7H2,1-2H3
InChIKeyGMDNXLCYFZMYJK-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.95
Rot. Bonds3

About 2-(1-ethylsulfonylethyl)piperidine

2-(1-ethylsulfonylethyl)piperidine (PubChem CID 121452855) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 2-(1-ethylsulfonylethyl)piperidine.

Molecular Properties

Compound Name2-(1-ethylsulfonylethyl)piperidine
PubChem CID121452855
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name2-(1-ethylsulfonylethyl)piperidine
SMILESCCS(=O)(=O)C(C)C1CCCCN1
InChIInChI=1S/C9H19NO2S/c1-3-13(11,12)8(2)9-6-4-5-7-10-9/h8-10H,3-7H2,1-2H3
InChIKeyGMDNXLCYFZMYJK-UHFFFAOYSA-N
XLogP0.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-(1-ethylsulfonylethyl)piperidine?
The IUPAC name of 2-(1-ethylsulfonylethyl)piperidine (CID 121452855) is 2-(1-ethylsulfonylethyl)piperidine.
What is the SMILES notation for 2-(1-ethylsulfonylethyl)piperidine?
The canonical SMILES for 2-(1-ethylsulfonylethyl)piperidine is CCS(=O)(=O)C(C)C1CCCCN1.
What is the InChIKey of 2-(1-ethylsulfonylethyl)piperidine?
The InChIKey is GMDNXLCYFZMYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-3-13(11,12)8(2)9-6-4-5-7-10-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 2-(1-ethylsulfonylethyl)piperidine?
2-(1-ethylsulfonylethyl)piperidine has a molecular weight of 205.32 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylsulfonylethyl)piperidine is sourced from PubChem (CID 121452855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).