(3R)-N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine

C13H17F3N2O3S — CID 124627734

IUPAC(3R)-N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine
SMILESCN[C@@H]1CCCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1
InChIInChI=1S/C13H17F3N2O3S/c1-17-10-5-4-8-18(9-10)22(19,20)12-7-3-2-6-11(12)21-13(14,15)16/h2-3,6-7,10,17H,4-5,8-9H2,1H3/t10-/m1/s1
InChIKeyPBPPSGCIEKHXLN-SNVBAGLBSA-N
MW338.35 g/mol
LogP1.96
Rot. Bonds4

About (3R)-N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine

(3R)-N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine (PubChem CID 124627734) has the molecular formula C13H17F3N2O3S and a molecular weight of 338.35 g/mol. Its IUPAC name is (3R)-N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine
PubChem CID124627734
Molecular FormulaC13H17F3N2O3S
Molecular Weight338.35 g/mol
Exact Mass338.09
IUPAC Name(3R)-N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine
SMILESCN[C@@H]1CCCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1
InChIInChI=1S/C13H17F3N2O3S/c1-17-10-5-4-8-18(9-10)22(19,20)12-7-3-2-6-11(12)21-13(14,15)16/h2-3,6-7,10,17H,4-5,8-9H2,1H3/t10-/m1/s1
InChIKeyPBPPSGCIEKHXLN-SNVBAGLBSA-N
XLogP1.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride
CID 120714915
3-(4-fluorophenyl)-1-[2-(trifluoromethoxy)phenyl]sulfonylazepane
CID 121146381
(3R)-1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962804
N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 31109375
(3S)-1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidine-3-carboxylic acid
CID 125118541
4,6-dimethyl-2-[1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine
CID 122258213
5-ethyl-2-[1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine
CID 122268466
N-methyl-1-naphthalen-1-ylsulfonylpiperidin-3-amine;hydrochloride
CID 120714484
N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-amine
CID 62534665
(3S)-1-(2-bromo-4-fluorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 94475946
1-(4-chloronaphthalen-1-yl)sulfonyl-N-methylpiperidin-3-amine
CID 120715283
2,6-dimethyl-4-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]sulfonylmorpholine
CID 55601255

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine?
The IUPAC name of (3R)-N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine (CID 124627734) is (3R)-N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine.
What is the SMILES notation for (3R)-N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine?
The canonical SMILES for (3R)-N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine is CN[C@@H]1CCCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1.
What is the InChIKey of (3R)-N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine?
The InChIKey is PBPPSGCIEKHXLN-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17F3N2O3S/c1-17-10-5-4-8-18(9-10)22(19,20)12-7-3-2-6-11(12)21-13(14,15)16/h2-3,6-7,10,17H,4-5,8-9H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine?
(3R)-N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine has a molecular weight of 338.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine is sourced from PubChem (CID 124627734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).