2-(3-ethylsulfonylpropyl)-4-(trifluoromethyl)piperidine

C11H20F3NO2S — CID 106779390

IUPAC2-(3-ethylsulfonylpropyl)-4-(trifluoromethyl)piperidine
SMILESCCS(=O)(=O)CCCC1CC(C(F)(F)F)CCN1
InChIInChI=1S/C11H20F3NO2S/c1-2-18(16,17)7-3-4-10-8-9(5-6-15-10)11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyXSORRKVDNYNEDL-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.13
Rot. Bonds5

About 2-(3-ethylsulfonylpropyl)-4-(trifluoromethyl)piperidine

2-(3-ethylsulfonylpropyl)-4-(trifluoromethyl)piperidine (PubChem CID 106779390) has the molecular formula C11H20F3NO2S and a molecular weight of 287.35 g/mol. Its IUPAC name is 2-(3-ethylsulfonylpropyl)-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-(3-ethylsulfonylpropyl)-4-(trifluoromethyl)piperidine
PubChem CID106779390
Molecular FormulaC11H20F3NO2S
Molecular Weight287.35 g/mol
Exact Mass287.12
IUPAC Name2-(3-ethylsulfonylpropyl)-4-(trifluoromethyl)piperidine
SMILESCCS(=O)(=O)CCCC1CC(C(F)(F)F)CCN1
InChIInChI=1S/C11H20F3NO2S/c1-2-18(16,17)7-3-4-10-8-9(5-6-15-10)11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyXSORRKVDNYNEDL-UHFFFAOYSA-N
XLogP2.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonylpropyl)-4-(trifluoromethyl)piperidine?
The IUPAC name of 2-(3-ethylsulfonylpropyl)-4-(trifluoromethyl)piperidine (CID 106779390) is 2-(3-ethylsulfonylpropyl)-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-(3-ethylsulfonylpropyl)-4-(trifluoromethyl)piperidine?
The canonical SMILES for 2-(3-ethylsulfonylpropyl)-4-(trifluoromethyl)piperidine is CCS(=O)(=O)CCCC1CC(C(F)(F)F)CCN1.
What is the InChIKey of 2-(3-ethylsulfonylpropyl)-4-(trifluoromethyl)piperidine?
The InChIKey is XSORRKVDNYNEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2S/c1-2-18(16,17)7-3-4-10-8-9(5-6-15-10)11(12,13)14/h9-10,15H,2-8H2,1H3.
What are the key properties of 2-(3-ethylsulfonylpropyl)-4-(trifluoromethyl)piperidine?
2-(3-ethylsulfonylpropyl)-4-(trifluoromethyl)piperidine has a molecular weight of 287.35 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonylpropyl)-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 106779390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).