[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine

C13H17F3N2O2S — CID 43605303

IUPAC[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C13H17F3N2O2S/c14-13(15,16)11-3-1-2-4-12(11)21(19,20)18-7-5-10(9-17)6-8-18/h1-4,10H,5-9,17H2
InChIKeyCKKGFZTUVHSMEV-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.06
Rot. Bonds3

About [1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine

[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine (PubChem CID 43605303) has the molecular formula C13H17F3N2O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is [1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
PubChem CID43605303
Molecular FormulaC13H17F3N2O2S
Molecular Weight322.35 g/mol
Exact Mass322.10
IUPAC Name[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C13H17F3N2O2S/c14-13(15,16)11-3-1-2-4-12(11)21(19,20)18-7-5-10(9-17)6-8-18/h1-4,10H,5-9,17H2
InChIKeyCKKGFZTUVHSMEV-UHFFFAOYSA-N
XLogP2.06
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol
CID 60956912
1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol
CID 43394304
1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylic acid
CID 2487327
[1-[2-chloro-6-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
CID 119963733
N-methyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine;hydrochloride
CID 119980070
(2-amino-2-oxoethyl) 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 2484237
3-bromo-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine
CID 80667317
N-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanesulfonamide
CID 24678902
[1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine
CID 63766584
[1-(2-bromophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963995
[5-methyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120582058
[1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972183

Frequently Asked Questions

What is the IUPAC name of [1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine?
The IUPAC name of [1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine (CID 43605303) is [1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine is NCC1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of [1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine?
The InChIKey is CKKGFZTUVHSMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S/c14-13(15,16)11-3-1-2-4-12(11)21(19,20)18-7-5-10(9-17)6-8-18/h1-4,10H,5-9,17H2.
What are the key properties of [1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine?
[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine has a molecular weight of 322.35 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine is sourced from PubChem (CID 43605303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).