1-(5-methylthiophen-2-yl)sulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide

C17H19N5O3S2 — CID 55603957

IUPAC1-(5-methylthiophen-2-yl)sulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3nnc4ccccn34)C2)s1
InChIInChI=1S/C17H19N5O3S2/c1-12-7-8-15(26-12)27(24,25)21-9-4-5-13(11-21)16(23)18-17-20-19-14-6-2-3-10-22(14)17/h2-3,6-8,10,13H,4-5,9,11H2,1H3,(H,18,20,23)
InChIKeyXTCMUMITAPKICD-UHFFFAOYSA-N
MW405.51 g/mol
LogP2.14
Rot. Bonds4

About 1-(5-methylthiophen-2-yl)sulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide

1-(5-methylthiophen-2-yl)sulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide (PubChem CID 55603957) has the molecular formula C17H19N5O3S2 and a molecular weight of 405.51 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)sulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)sulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
PubChem CID55603957
Molecular FormulaC17H19N5O3S2
Molecular Weight405.51 g/mol
Exact Mass405.09
IUPAC Name1-(5-methylthiophen-2-yl)sulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3nnc4ccccn34)C2)s1
InChIInChI=1S/C17H19N5O3S2/c1-12-7-8-15(26-12)27(24,25)21-9-4-5-13(11-21)16(23)18-17-20-19-14-6-2-3-10-22(14)17/h2-3,6-8,10,13H,4-5,9,11H2,1H3,(H,18,20,23)
InChIKeyXTCMUMITAPKICD-UHFFFAOYSA-N
XLogP2.14
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-N-(2-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 30534952
N-(4-acetyl-1,3-thiazol-2-yl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 24643295
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 24643726
methyl 4-methyl-2-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 55526772
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 55527605
1-[5-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55701006
N-(4-methyl-2-pyridinyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46523339
(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-(2-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide
CID 52908764
(3R)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 2055816
(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpiperidine-3-carboxamide
CID 34827204
1-(5-methylthiophen-2-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
CID 46521602
methyl 3-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate
CID 24643102

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)sulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(5-methylthiophen-2-yl)sulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide (CID 55603957) is 1-(5-methylthiophen-2-yl)sulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)sulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(5-methylthiophen-2-yl)sulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3nnc4ccccn34)C2)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)sulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide?
The InChIKey is XTCMUMITAPKICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S2/c1-12-7-8-15(26-12)27(24,25)21-9-4-5-13(11-21)16(23)18-17-20-19-14-6-2-3-10-22(14)17/h2-3,6-8,10,13H,4-5,9,11H2,1H3,(H,18,20,23).
What are the key properties of 1-(5-methylthiophen-2-yl)sulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide?
1-(5-methylthiophen-2-yl)sulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide has a molecular weight of 405.51 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)sulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 55603957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).