4-methyl-1-methylsulfonyl-4-(trifluoromethyl)piperidine

C8H14F3NO2S — CID 123345054

IUPAC4-methyl-1-methylsulfonyl-4-(trifluoromethyl)piperidine
SMILESCC1(C(F)(F)F)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C8H14F3NO2S/c1-7(8(9,10)11)3-5-12(6-4-7)15(2,13)14/h3-6H2,1-2H3
InChIKeyGBMPRSGSCNKSKS-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.61
Rot. Bonds1

About 4-methyl-1-methylsulfonyl-4-(trifluoromethyl)piperidine

4-methyl-1-methylsulfonyl-4-(trifluoromethyl)piperidine (PubChem CID 123345054) has the molecular formula C8H14F3NO2S and a molecular weight of 245.27 g/mol. Its IUPAC name is 4-methyl-1-methylsulfonyl-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name4-methyl-1-methylsulfonyl-4-(trifluoromethyl)piperidine
PubChem CID123345054
Molecular FormulaC8H14F3NO2S
Molecular Weight245.27 g/mol
Exact Mass245.07
IUPAC Name4-methyl-1-methylsulfonyl-4-(trifluoromethyl)piperidine
SMILESCC1(C(F)(F)F)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C8H14F3NO2S/c1-7(8(9,10)11)3-5-12(6-4-7)15(2,13)14/h3-6H2,1-2H3
InChIKeyGBMPRSGSCNKSKS-UHFFFAOYSA-N
XLogP1.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methyl-1-methylsulfonyl-4-(trifluoromethyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-methylsulfonyl-4-(trifluoromethyl)piperidine?
The IUPAC name of 4-methyl-1-methylsulfonyl-4-(trifluoromethyl)piperidine (CID 123345054) is 4-methyl-1-methylsulfonyl-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 4-methyl-1-methylsulfonyl-4-(trifluoromethyl)piperidine?
The canonical SMILES for 4-methyl-1-methylsulfonyl-4-(trifluoromethyl)piperidine is CC1(C(F)(F)F)CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 4-methyl-1-methylsulfonyl-4-(trifluoromethyl)piperidine?
The InChIKey is GBMPRSGSCNKSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2S/c1-7(8(9,10)11)3-5-12(6-4-7)15(2,13)14/h3-6H2,1-2H3.
What are the key properties of 4-methyl-1-methylsulfonyl-4-(trifluoromethyl)piperidine?
4-methyl-1-methylsulfonyl-4-(trifluoromethyl)piperidine has a molecular weight of 245.27 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-methylsulfonyl-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 123345054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).