(3S,5R)-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxylic acid

C13H15F3N2O4S — CID 69065013

IUPAC(3S,5R)-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CNC[C@H](NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C13H15F3N2O4S/c14-13(15,16)9-2-1-3-11(5-9)23(21,22)18-10-4-8(12(19)20)6-17-7-10/h1-3,5,8,10,17-18H,4,6-7H2,(H,19,20)/t8-,10+/m0/s1
InChIKeyRWXYARDLIWIYSC-WCBMZHEXSA-N
MW352.33 g/mol
LogP1.05
Rot. Bonds4

About (3S,5R)-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxylic acid

(3S,5R)-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxylic acid (PubChem CID 69065013) has the molecular formula C13H15F3N2O4S and a molecular weight of 352.33 g/mol. Its IUPAC name is (3S,5R)-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,5R)-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxylic acid
PubChem CID69065013
Molecular FormulaC13H15F3N2O4S
Molecular Weight352.33 g/mol
Exact Mass352.07
IUPAC Name(3S,5R)-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CNC[C@H](NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C13H15F3N2O4S/c14-13(15,16)9-2-1-3-11(5-9)23(21,22)18-10-4-8(12(19)20)6-17-7-10/h1-3,5,8,10,17-18H,4,6-7H2,(H,19,20)/t8-,10+/m0/s1
InChIKeyRWXYARDLIWIYSC-WCBMZHEXSA-N
XLogP1.05
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(pyridin-3-ylsulfonylamino)piperidine-3-carboxylic acid
CID 69069584
N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 38114118
(3S,5R)-5-[(3-chlorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 158286897
N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 156778109
N-(2-hydroxycyclohexyl)-3-(trifluoromethyl)benzenesulfonamide
CID 62361292
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 46656593
3-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)benzoyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]benzenesulfonamide
CID 78107329
(3S,5S)-5-[(3-chlorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 91046890
N-[(3S,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 154821589
(3R,5S)-5-[(2E)-2-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]hydrazinyl]piperidine-3-carboxylic acid
CID 155532626
1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 3463250
(3S,5R)-N-(2,2-diphenylethyl)-5-(naphthalen-2-ylsulfonylamino)piperidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 160929581

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxylic acid?
The IUPAC name of (3S,5R)-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxylic acid (CID 69065013) is (3S,5R)-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S,5R)-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxylic acid?
The canonical SMILES for (3S,5R)-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxylic acid is O=C(O)[C@@H]1CNC[C@H](NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of (3S,5R)-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxylic acid?
The InChIKey is RWXYARDLIWIYSC-WCBMZHEXSA-N. The full InChI is InChI=1S/C13H15F3N2O4S/c14-13(15,16)9-2-1-3-11(5-9)23(21,22)18-10-4-8(12(19)20)6-17-7-10/h1-3,5,8,10,17-18H,4,6-7H2,(H,19,20)/t8-,10+/m0/s1.
What are the key properties of (3S,5R)-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxylic acid?
(3S,5R)-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxylic acid has a molecular weight of 352.33 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxylic acid is sourced from PubChem (CID 69065013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).