6-methyl-1-[4-(trifluoromethyl)cyclohexyl]sulfonylpiperidine-3-carboxylic acid

C14H22F3NO4S — CID 122104620

IUPAC6-methyl-1-[4-(trifluoromethyl)cyclohexyl]sulfonylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1S(=O)(=O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H22F3NO4S/c1-9-2-3-10(13(19)20)8-18(9)23(21,22)12-6-4-11(5-7-12)14(15,16)17/h9-12H,2-8H2,1H3,(H,19,20)
InChIKeyJAIJLLWRWCUACM-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.62
Rot. Bonds3

About 6-methyl-1-[4-(trifluoromethyl)cyclohexyl]sulfonylpiperidine-3-carboxylic acid

6-methyl-1-[4-(trifluoromethyl)cyclohexyl]sulfonylpiperidine-3-carboxylic acid (PubChem CID 122104620) has the molecular formula C14H22F3NO4S and a molecular weight of 357.39 g/mol. Its IUPAC name is 6-methyl-1-[4-(trifluoromethyl)cyclohexyl]sulfonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-[4-(trifluoromethyl)cyclohexyl]sulfonylpiperidine-3-carboxylic acid
PubChem CID122104620
Molecular FormulaC14H22F3NO4S
Molecular Weight357.39 g/mol
Exact Mass357.12
IUPAC Name6-methyl-1-[4-(trifluoromethyl)cyclohexyl]sulfonylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1S(=O)(=O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H22F3NO4S/c1-9-2-3-10(13(19)20)8-18(9)23(21,22)12-6-4-11(5-7-12)14(15,16)17/h9-12H,2-8H2,1H3,(H,19,20)
InChIKeyJAIJLLWRWCUACM-UHFFFAOYSA-N
XLogP2.62
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methyl-1-[4-(trifluoromethyl)cyclohexyl]sulfonylpiperidine-3-carboxylic acid 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-[4-(trifluoromethyl)cyclohexyl]sulfonylpyrrolidine-3-carboxylic acid
CID 122068417
6-methyl-1-(2-methyloxan-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 122104610
1-(3-fluoropropylsulfonyl)-6-methylpiperidine-3-carboxylic acid
CID 122104299
6-methyl-1-(2-methyloxolan-3-yl)sulfonylpiperidine-3-carboxylic acid
CID 122104491
1-(3,3-dimethylbutylsulfonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083362
1-(2-ethylbutylsulfonyl)-6-methylpiperidine-3-carboxylic acid
CID 122104291
6-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 122104356
1-but-3-enylsulfonyl-6-methylpiperidine-3-carboxylic acid
CID 122104288
(3R,6R)-1,6-dimethylpiperidine-3-carboxylic acid
CID 124547889
(6R)-1,6-dimethylpiperidine-3-carboxylic acid
CID 145074333
1-(5-chloro-2-fluorophenyl)sulfonyl-6-methylpiperidine-3-carboxylic acid
CID 122104589
6-methyl-1-(2-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 122083292

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[4-(trifluoromethyl)cyclohexyl]sulfonylpiperidine-3-carboxylic acid?
The IUPAC name of 6-methyl-1-[4-(trifluoromethyl)cyclohexyl]sulfonylpiperidine-3-carboxylic acid (CID 122104620) is 6-methyl-1-[4-(trifluoromethyl)cyclohexyl]sulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1-[4-(trifluoromethyl)cyclohexyl]sulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for 6-methyl-1-[4-(trifluoromethyl)cyclohexyl]sulfonylpiperidine-3-carboxylic acid is CC1CCC(C(=O)O)CN1S(=O)(=O)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 6-methyl-1-[4-(trifluoromethyl)cyclohexyl]sulfonylpiperidine-3-carboxylic acid?
The InChIKey is JAIJLLWRWCUACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO4S/c1-9-2-3-10(13(19)20)8-18(9)23(21,22)12-6-4-11(5-7-12)14(15,16)17/h9-12H,2-8H2,1H3,(H,19,20).
What are the key properties of 6-methyl-1-[4-(trifluoromethyl)cyclohexyl]sulfonylpiperidine-3-carboxylic acid?
6-methyl-1-[4-(trifluoromethyl)cyclohexyl]sulfonylpiperidine-3-carboxylic acid has a molecular weight of 357.39 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[4-(trifluoromethyl)cyclohexyl]sulfonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122104620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).