1-methylsulfonyl-3-(trifluoromethyl)piperidine

C7H12F3NO2S — CID 3646972

IUPAC1-methylsulfonyl-3-(trifluoromethyl)piperidine
SMILESCS(=O)(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C7H12F3NO2S/c1-14(12,13)11-4-2-3-6(5-11)7(8,9)10/h6H,2-5H2,1H3
InChIKeyVMZBMHUOGTUGDW-UHFFFAOYSA-N
MW231.24 g/mol
LogP1.22
Rot. Bonds1

About 1-methylsulfonyl-3-(trifluoromethyl)piperidine

1-methylsulfonyl-3-(trifluoromethyl)piperidine (PubChem CID 3646972) has the molecular formula C7H12F3NO2S and a molecular weight of 231.24 g/mol. Its IUPAC name is 1-methylsulfonyl-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-methylsulfonyl-3-(trifluoromethyl)piperidine
PubChem CID3646972
Molecular FormulaC7H12F3NO2S
Molecular Weight231.24 g/mol
Exact Mass231.05
IUPAC Name1-methylsulfonyl-3-(trifluoromethyl)piperidine
SMILESCS(=O)(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C7H12F3NO2S/c1-14(12,13)11-4-2-3-6(5-11)7(8,9)10/h6H,2-5H2,1H3
InChIKeyVMZBMHUOGTUGDW-UHFFFAOYSA-N
XLogP1.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-3-(trifluoromethyl)piperidine?
The IUPAC name of 1-methylsulfonyl-3-(trifluoromethyl)piperidine (CID 3646972) is 1-methylsulfonyl-3-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-methylsulfonyl-3-(trifluoromethyl)piperidine?
The canonical SMILES for 1-methylsulfonyl-3-(trifluoromethyl)piperidine is CS(=O)(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-methylsulfonyl-3-(trifluoromethyl)piperidine?
The InChIKey is VMZBMHUOGTUGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2S/c1-14(12,13)11-4-2-3-6(5-11)7(8,9)10/h6H,2-5H2,1H3.
What are the key properties of 1-methylsulfonyl-3-(trifluoromethyl)piperidine?
1-methylsulfonyl-3-(trifluoromethyl)piperidine has a molecular weight of 231.24 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 3646972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).