N-[(2R)-1-oxo-1-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-yl]benzenesulfonamide

C20H23N5O3S — CID 42581584

IUPACN-[(2R)-1-oxo-1-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-yl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC[C@H](c2nnc3ccccn23)C1
InChIInChI=1S/C20H23N5O3S/c1-15(23-29(27,28)17-9-3-2-4-10-17)20(26)24-12-7-8-16(14-24)19-22-21-18-11-5-6-13-25(18)19/h2-6,9-11,13,15-16,23H,7-8,12,14H2,1H3/t15-,16+/m1/s1
InChIKeyBBTZLMCMRZMSAZ-CVEARBPZSA-N
MW413.50 g/mol
LogP1.80
Rot. Bonds5

About N-[(2R)-1-oxo-1-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-yl]benzenesulfonamide

N-[(2R)-1-oxo-1-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-yl]benzenesulfonamide (PubChem CID 42581584) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[(2R)-1-oxo-1-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-oxo-1-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-yl]benzenesulfonamide
PubChem CID42581584
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC NameN-[(2R)-1-oxo-1-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-yl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC[C@H](c2nnc3ccccn23)C1
InChIInChI=1S/C20H23N5O3S/c1-15(23-29(27,28)17-9-3-2-4-10-17)20(26)24-12-7-8-16(14-24)19-22-21-18-11-5-6-13-25(18)19/h2-6,9-11,13,15-16,23H,7-8,12,14H2,1H3/t15-,16+/m1/s1
InChIKeyBBTZLMCMRZMSAZ-CVEARBPZSA-N
XLogP1.80
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2R)-1-oxo-1-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-yl]benzenesulfonamide with MolForge

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Related Compounds

2-hydroxy-2-phenyl-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 110881752
(2S)-2-phenyl-2-phenylsulfanyl-1-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 51926435
(3R)-N-(4-methylpentyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
CID 94030932
N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 51089554
N-[4-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 42581450
propyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxylate
CID 126823598
N-[2-oxo-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]-4-phenylbenzamide
CID 78826881
(2-iodophenyl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 42896883
4-(2,5-dimethylpyrrol-1-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one
CID 121238837
N-naphthalen-1-yl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
CID 17457885
4-pyrrol-1-yl-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one
CID 128963578
[2-(difluoromethoxy)phenyl]-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 51929159

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-oxo-1-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-yl]benzenesulfonamide?
The IUPAC name of N-[(2R)-1-oxo-1-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-yl]benzenesulfonamide (CID 42581584) is N-[(2R)-1-oxo-1-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[(2R)-1-oxo-1-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-yl]benzenesulfonamide?
The canonical SMILES for N-[(2R)-1-oxo-1-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-yl]benzenesulfonamide is C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC[C@H](c2nnc3ccccn23)C1.
What is the InChIKey of N-[(2R)-1-oxo-1-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-yl]benzenesulfonamide?
The InChIKey is BBTZLMCMRZMSAZ-CVEARBPZSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-15(23-29(27,28)17-9-3-2-4-10-17)20(26)24-12-7-8-16(14-24)19-22-21-18-11-5-6-13-25(18)19/h2-6,9-11,13,15-16,23H,7-8,12,14H2,1H3/t15-,16+/m1/s1.
What are the key properties of N-[(2R)-1-oxo-1-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-yl]benzenesulfonamide?
N-[(2R)-1-oxo-1-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-yl]benzenesulfonamide has a molecular weight of 413.50 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-oxo-1-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 42581584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).