1,2-dimethyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine

C11H20F3NO2S — CID 167269182

IUPAC1,2-dimethyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine
SMILESCC1C(S(=O)(=O)C(C)C)CCC(C(F)(F)F)N1C
InChIInChI=1S/C11H20F3NO2S/c1-7(2)18(16,17)9-5-6-10(11(12,13)14)15(4)8(9)3/h7-10H,5-6H2,1-4H3
InChIKeyDKDXLCANSLIERH-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.22
Rot. Bonds2

About 1,2-dimethyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine

1,2-dimethyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine (PubChem CID 167269182) has the molecular formula C11H20F3NO2S and a molecular weight of 287.35 g/mol. Its IUPAC name is 1,2-dimethyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1,2-dimethyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine
PubChem CID167269182
Molecular FormulaC11H20F3NO2S
Molecular Weight287.35 g/mol
Exact Mass287.12
IUPAC Name1,2-dimethyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine
SMILESCC1C(S(=O)(=O)C(C)C)CCC(C(F)(F)F)N1C
InChIInChI=1S/C11H20F3NO2S/c1-7(2)18(16,17)9-5-6-10(11(12,13)14)15(4)8(9)3/h7-10H,5-6H2,1-4H3
InChIKeyDKDXLCANSLIERH-UHFFFAOYSA-N
XLogP2.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,2-dimethyl-3-propan-2-ylsulfonyl-6-(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 1,2-dimethyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine?
The IUPAC name of 1,2-dimethyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine (CID 167269182) is 1,2-dimethyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine.
What is the SMILES notation for 1,2-dimethyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine?
The canonical SMILES for 1,2-dimethyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine is CC1C(S(=O)(=O)C(C)C)CCC(C(F)(F)F)N1C.
What is the InChIKey of 1,2-dimethyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine?
The InChIKey is DKDXLCANSLIERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2S/c1-7(2)18(16,17)9-5-6-10(11(12,13)14)15(4)8(9)3/h7-10H,5-6H2,1-4H3.
What are the key properties of 1,2-dimethyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine?
1,2-dimethyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine has a molecular weight of 287.35 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine is sourced from PubChem (CID 167269182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).