5-methyl-2-(trifluoromethylsulfanyl)piperidine;propane

C10H20F3NS — CID 176942168

IUPAC5-methyl-2-(trifluoromethylsulfanyl)piperidine;propane
SMILESCC1CCC(SC(F)(F)F)NC1.CCC
InChIInChI=1S/C7H12F3NS.C3H8/c1-5-2-3-6(11-4-5)12-7(8,9)10;1-3-2/h5-6,11H,2-4H2,1H3;3H2,1-2H3
InChIKeyOHRIYAQYZMDGGG-UHFFFAOYSA-N
MW243.34 g/mol
LogP4.00
Rot. Bonds1

About 5-methyl-2-(trifluoromethylsulfanyl)piperidine;propane

5-methyl-2-(trifluoromethylsulfanyl)piperidine;propane (PubChem CID 176942168) has the molecular formula C10H20F3NS and a molecular weight of 243.34 g/mol. Its IUPAC name is 5-methyl-2-(trifluoromethylsulfanyl)piperidine;propane.

Molecular Properties

Compound Name5-methyl-2-(trifluoromethylsulfanyl)piperidine;propane
PubChem CID176942168
Molecular FormulaC10H20F3NS
Molecular Weight243.34 g/mol
Exact Mass243.13
IUPAC Name5-methyl-2-(trifluoromethylsulfanyl)piperidine;propane
SMILESCC1CCC(SC(F)(F)F)NC1.CCC
InChIInChI=1S/C7H12F3NS.C3H8/c1-5-2-3-6(11-4-5)12-7(8,9)10;1-3-2/h5-6,11H,2-4H2,1H3;3H2,1-2H3
InChIKeyOHRIYAQYZMDGGG-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(trifluoromethylsulfanyl)piperidine;propane?
The IUPAC name of 5-methyl-2-(trifluoromethylsulfanyl)piperidine;propane (CID 176942168) is 5-methyl-2-(trifluoromethylsulfanyl)piperidine;propane.
What is the SMILES notation for 5-methyl-2-(trifluoromethylsulfanyl)piperidine;propane?
The canonical SMILES for 5-methyl-2-(trifluoromethylsulfanyl)piperidine;propane is CC1CCC(SC(F)(F)F)NC1.CCC.
What is the InChIKey of 5-methyl-2-(trifluoromethylsulfanyl)piperidine;propane?
The InChIKey is OHRIYAQYZMDGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NS.C3H8/c1-5-2-3-6(11-4-5)12-7(8,9)10;1-3-2/h5-6,11H,2-4H2,1H3;3H2,1-2H3.
What are the key properties of 5-methyl-2-(trifluoromethylsulfanyl)piperidine;propane?
5-methyl-2-(trifluoromethylsulfanyl)piperidine;propane has a molecular weight of 243.34 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(trifluoromethylsulfanyl)piperidine;propane is sourced from PubChem (CID 176942168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).