3,3-dimethyl-1-(4-methylphenyl)sulfonyl-5-(trifluoromethoxy)piperidine

C15H20F3NO3S — CID 132568757

IUPAC3,3-dimethyl-1-(4-methylphenyl)sulfonyl-5-(trifluoromethoxy)piperidine
SMILESCc1ccc(S(=O)(=O)N2CC(OC(F)(F)F)CC(C)(C)C2)cc1
InChIInChI=1S/C15H20F3NO3S/c1-11-4-6-13(7-5-11)23(20,21)19-9-12(22-15(16,17)18)8-14(2,3)10-19/h4-7,12H,8-10H2,1-3H3
InChIKeyUZJCMTULCDUWFR-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.32
Rot. Bonds3

About 3,3-dimethyl-1-(4-methylphenyl)sulfonyl-5-(trifluoromethoxy)piperidine

3,3-dimethyl-1-(4-methylphenyl)sulfonyl-5-(trifluoromethoxy)piperidine (PubChem CID 132568757) has the molecular formula C15H20F3NO3S and a molecular weight of 351.39 g/mol. Its IUPAC name is 3,3-dimethyl-1-(4-methylphenyl)sulfonyl-5-(trifluoromethoxy)piperidine.

Molecular Properties

Compound Name3,3-dimethyl-1-(4-methylphenyl)sulfonyl-5-(trifluoromethoxy)piperidine
PubChem CID132568757
Molecular FormulaC15H20F3NO3S
Molecular Weight351.39 g/mol
Exact Mass351.11
IUPAC Name3,3-dimethyl-1-(4-methylphenyl)sulfonyl-5-(trifluoromethoxy)piperidine
SMILESCc1ccc(S(=O)(=O)N2CC(OC(F)(F)F)CC(C)(C)C2)cc1
InChIInChI=1S/C15H20F3NO3S/c1-11-4-6-13(7-5-11)23(20,21)19-9-12(22-15(16,17)18)8-14(2,3)10-19/h4-7,12H,8-10H2,1-3H3
InChIKeyUZJCMTULCDUWFR-UHFFFAOYSA-N
XLogP3.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-((4-Methylphenyl)sulphonyl)morpholine
CID 80645
2,6-Dimethyl-4-{[3-(trifluoromethyl)phenyl]sulfonyl}morpholine
CID 2818577
N-Methyl-N-[(oxan-4-YL)methyl]-4-(trifluoromethyl)benzene-1-sulfonamide
CID 91905233
2,6-Dimethyl-4-[(4-methylphenyl)sulfonyl]morpholine
CID 2832225
1-[(4-Methylphenyl)sulfonyl]-3-(trifluoromethyl)piperidine
CID 2929930
4-((2-Methoxyethoxy)methyl)-1-((4-(trifluoromethyl)phenyl)sulfonyl)piperidine
CID 49677834
4-Methoxy-1-((4-(trifluoromethyl)phenyl)sulfonyl)piperidine
CID 49720663
N-Methyl-N-[(4-methyloxan-4-YL)methyl]-3-(trifluoromethyl)benzene-1-sulfonamide
CID 71686945
3-Fluoro-N,4-dimethyl-N-[(4-methyloxan-4-YL)methyl]benzene-1-sulfonamide
CID 71686950
N-Methyl-N-[(4-methyloxan-4-YL)methyl]-2-(trifluoromethyl)benzene-1-sulfonamide
CID 71686951
N-Methyl-N-[(4-methyloxan-4-YL)methyl]-4-(trifluoromethyl)benzene-1-sulfonamide
CID 71686952
1-(4-((4-(Trifluoromethyl)phenyl)sulfonyl)piperazin-1-yl)propan-2-ol
CID 71783551

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(4-methylphenyl)sulfonyl-5-(trifluoromethoxy)piperidine?
The IUPAC name of 3,3-dimethyl-1-(4-methylphenyl)sulfonyl-5-(trifluoromethoxy)piperidine (CID 132568757) is 3,3-dimethyl-1-(4-methylphenyl)sulfonyl-5-(trifluoromethoxy)piperidine.
What is the SMILES notation for 3,3-dimethyl-1-(4-methylphenyl)sulfonyl-5-(trifluoromethoxy)piperidine?
The canonical SMILES for 3,3-dimethyl-1-(4-methylphenyl)sulfonyl-5-(trifluoromethoxy)piperidine is Cc1ccc(S(=O)(=O)N2CC(OC(F)(F)F)CC(C)(C)C2)cc1.
What is the InChIKey of 3,3-dimethyl-1-(4-methylphenyl)sulfonyl-5-(trifluoromethoxy)piperidine?
The InChIKey is UZJCMTULCDUWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO3S/c1-11-4-6-13(7-5-11)23(20,21)19-9-12(22-15(16,17)18)8-14(2,3)10-19/h4-7,12H,8-10H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(4-methylphenyl)sulfonyl-5-(trifluoromethoxy)piperidine?
3,3-dimethyl-1-(4-methylphenyl)sulfonyl-5-(trifluoromethoxy)piperidine has a molecular weight of 351.39 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(4-methylphenyl)sulfonyl-5-(trifluoromethoxy)piperidine is sourced from PubChem (CID 132568757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).