(5S)-1-(difluoromethylsulfonyl)-3,3-difluoro-5-methylpiperidine

C7H11F4NO2S — CID 176666094

IUPAC(5S)-1-(difluoromethylsulfonyl)-3,3-difluoro-5-methylpiperidine
SMILESC[C@@H]1CN(S(=O)(=O)C(F)F)CC(F)(F)C1
InChIInChI=1S/C7H11F4NO2S/c1-5-2-7(10,11)4-12(3-5)15(13,14)6(8)9/h5-6H,2-4H2,1H3/t5-/m0/s1
InChIKeyZBRJDVWGLLEWDM-YFKPBYRVSA-N
MW249.23 g/mol
LogP1.52
Rot. Bonds2

About (5S)-1-(difluoromethylsulfonyl)-3,3-difluoro-5-methylpiperidine

(5S)-1-(difluoromethylsulfonyl)-3,3-difluoro-5-methylpiperidine (PubChem CID 176666094) has the molecular formula C7H11F4NO2S and a molecular weight of 249.23 g/mol. Its IUPAC name is (5S)-1-(difluoromethylsulfonyl)-3,3-difluoro-5-methylpiperidine.

Molecular Properties

Compound Name(5S)-1-(difluoromethylsulfonyl)-3,3-difluoro-5-methylpiperidine
PubChem CID176666094
Molecular FormulaC7H11F4NO2S
Molecular Weight249.23 g/mol
Exact Mass249.04
IUPAC Name(5S)-1-(difluoromethylsulfonyl)-3,3-difluoro-5-methylpiperidine
SMILESC[C@@H]1CN(S(=O)(=O)C(F)F)CC(F)(F)C1
InChIInChI=1S/C7H11F4NO2S/c1-5-2-7(10,11)4-12(3-5)15(13,14)6(8)9/h5-6H,2-4H2,1H3/t5-/m0/s1
InChIKeyZBRJDVWGLLEWDM-YFKPBYRVSA-N
XLogP1.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5S)-1-(difluoromethylsulfonyl)-3,3-difluoro-5-methylpiperidine with MolForge

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

Launch Full Analysis

Related Compounds

1-(Methylsulfonyl)-3-(trifluoromethyl)piperidine
CID 3646972
4-Fluoro-4-methyl-1-methylsulfonylpiperidine
CID 165041438
4-Propan-2-yl-1-(trifluoromethylsulfonyl)piperidine
CID 20782490
N,1,1-trifluoro-1-(3-methylpiperidin-1-yl)methanesulfonamide
CID 22008412
3,5-Dimethyl-1-(trifluoromethylsulfonyl)piperidine
CID 23227866
3-Methyl-1-(trifluoromethylsulfonyl)piperidine
CID 23227876
1-(Difluoromethylsulfonyl)piperidine
CID 58435991
3-Propan-2-yl-1-(trifluoromethylsulfonyl)piperidine
CID 58689229
4-Methyl-1-(2,2,2-trifluoroethylsulfonyl)piperidine
CID 59862750
4-Methyl-1-(trifluoromethylsulfonyl)piperidine
CID 59862807
1-Butyl-1-methyl-3-methylpiperidinium bis[(trifluoromethyl)sulfonyl]imide
CID 60145279
1-Methylsulfonyl-4-(trifluoromethyl)piperidine
CID 65545889

Frequently Asked Questions

What is the IUPAC name of (5S)-1-(difluoromethylsulfonyl)-3,3-difluoro-5-methylpiperidine?
The IUPAC name of (5S)-1-(difluoromethylsulfonyl)-3,3-difluoro-5-methylpiperidine (CID 176666094) is (5S)-1-(difluoromethylsulfonyl)-3,3-difluoro-5-methylpiperidine.
What is the SMILES notation for (5S)-1-(difluoromethylsulfonyl)-3,3-difluoro-5-methylpiperidine?
The canonical SMILES for (5S)-1-(difluoromethylsulfonyl)-3,3-difluoro-5-methylpiperidine is C[C@@H]1CN(S(=O)(=O)C(F)F)CC(F)(F)C1.
What is the InChIKey of (5S)-1-(difluoromethylsulfonyl)-3,3-difluoro-5-methylpiperidine?
The InChIKey is ZBRJDVWGLLEWDM-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11F4NO2S/c1-5-2-7(10,11)4-12(3-5)15(13,14)6(8)9/h5-6H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of (5S)-1-(difluoromethylsulfonyl)-3,3-difluoro-5-methylpiperidine?
(5S)-1-(difluoromethylsulfonyl)-3,3-difluoro-5-methylpiperidine has a molecular weight of 249.23 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(difluoromethylsulfonyl)-3,3-difluoro-5-methylpiperidine is sourced from PubChem (CID 176666094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).