N-(2-aminoethyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-3-carboxamide

C15H20F3N3O4S — CID 119971426

IUPACN-(2-aminoethyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)C1
InChIInChI=1S/C15H20F3N3O4S/c16-15(17,18)25-12-4-1-5-13(9-12)26(23,24)21-8-2-3-11(10-21)14(22)20-7-6-19/h1,4-5,9,11H,2-3,6-8,10,19H2,(H,20,22)
InChIKeyFVKJZUCGVTXVLK-UHFFFAOYSA-N
MW395.40 g/mol
LogP1.06
Rot. Bonds6

About N-(2-aminoethyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-3-carboxamide

N-(2-aminoethyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-3-carboxamide (PubChem CID 119971426) has the molecular formula C15H20F3N3O4S and a molecular weight of 395.40 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-3-carboxamide
PubChem CID119971426
Molecular FormulaC15H20F3N3O4S
Molecular Weight395.40 g/mol
Exact Mass395.11
IUPAC NameN-(2-aminoethyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)C1
InChIInChI=1S/C15H20F3N3O4S/c16-15(17,18)25-12-4-1-5-13(9-12)26(23,24)21-8-2-3-11(10-21)14(22)20-7-6-19/h1,4-5,9,11H,2-3,6-8,10,19H2,(H,20,22)
InChIKeyFVKJZUCGVTXVLK-UHFFFAOYSA-N
XLogP1.06
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.40
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 63253265
(3S)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-ol
CID 107225119
N-[2-(4-chlorophenyl)ethyl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 31810653
N-(2-aminoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-3-carboxamide
CID 119971209
N-(2-aminoethyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119971235
N-(2-aminoethyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-3-carboxamide
CID 119971159
N-(2-aminoethyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119383671
N-(2-aminoethyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971408
N-(2-aminoethyl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971495
N-(oxolan-2-ylmethyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 46642629
N-(2-aminoethyl)-1-[4-(2-methylbutan-2-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 119971336
methyl 4-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride
CID 119971268

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-3-carboxamide (CID 119971426) is N-(2-aminoethyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-3-carboxamide is NCCNC(=O)C1CCCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-3-carboxamide?
The InChIKey is FVKJZUCGVTXVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O4S/c16-15(17,18)25-12-4-1-5-13(9-12)26(23,24)21-8-2-3-11(10-21)14(22)20-7-6-19/h1,4-5,9,11H,2-3,6-8,10,19H2,(H,20,22).
What are the key properties of N-(2-aminoethyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-3-carboxamide?
N-(2-aminoethyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-3-carboxamide has a molecular weight of 395.40 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 119971426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).