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

C10H18F3NO2S — CID 106778111

IUPAC2-(3-methylsulfonylpropyl)-4-(trifluoromethyl)piperidine
SMILESCS(=O)(=O)CCCC1CC(C(F)(F)F)CCN1
InChIInChI=1S/C10H18F3NO2S/c1-17(15,16)6-2-3-9-7-8(4-5-14-9)10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyVDAQTDMVADDMFF-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.74
Rot. Bonds4

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

2-(3-methylsulfonylpropyl)-4-(trifluoromethyl)piperidine (PubChem CID 106778111) has the molecular formula C10H18F3NO2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 2-(3-methylsulfonylpropyl)-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-(3-methylsulfonylpropyl)-4-(trifluoromethyl)piperidine
PubChem CID106778111
Molecular FormulaC10H18F3NO2S
Molecular Weight273.32 g/mol
Exact Mass273.10
IUPAC Name2-(3-methylsulfonylpropyl)-4-(trifluoromethyl)piperidine
SMILESCS(=O)(=O)CCCC1CC(C(F)(F)F)CCN1
InChIInChI=1S/C10H18F3NO2S/c1-17(15,16)6-2-3-9-7-8(4-5-14-9)10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyVDAQTDMVADDMFF-UHFFFAOYSA-N
XLogP1.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfonylpropyl)-4-(trifluoromethyl)piperidine?
The IUPAC name of 2-(3-methylsulfonylpropyl)-4-(trifluoromethyl)piperidine (CID 106778111) is 2-(3-methylsulfonylpropyl)-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-(3-methylsulfonylpropyl)-4-(trifluoromethyl)piperidine?
The canonical SMILES for 2-(3-methylsulfonylpropyl)-4-(trifluoromethyl)piperidine is CS(=O)(=O)CCCC1CC(C(F)(F)F)CCN1.
What is the InChIKey of 2-(3-methylsulfonylpropyl)-4-(trifluoromethyl)piperidine?
The InChIKey is VDAQTDMVADDMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2S/c1-17(15,16)6-2-3-9-7-8(4-5-14-9)10(11,12)13/h8-9,14H,2-7H2,1H3.
What are the key properties of 2-(3-methylsulfonylpropyl)-4-(trifluoromethyl)piperidine?
2-(3-methylsulfonylpropyl)-4-(trifluoromethyl)piperidine has a molecular weight of 273.32 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfonylpropyl)-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 106778111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).