1-pyridin-3-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

C14H16N4O3S2 — CID 5309284

IUPAC1-pyridin-3-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1CCCN(S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C14H16N4O3S2/c19-13(17-14-16-6-8-22-14)11-3-2-7-18(10-11)23(20,21)12-4-1-5-15-9-12/h1,4-6,8-9,11H,2-3,7,10H2,(H,16,17,19)
InChIKeyTWBBXQPFHWZUMN-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.58
Rot. Bonds4

About 1-pyridin-3-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

1-pyridin-3-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 5309284) has the molecular formula C14H16N4O3S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-pyridin-3-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-pyridin-3-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID5309284
Molecular FormulaC14H16N4O3S2
Molecular Weight352.44 g/mol
Exact Mass352.07
IUPAC Name1-pyridin-3-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1CCCN(S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C14H16N4O3S2/c19-13(17-14-16-6-8-22-14)11-3-2-7-18(10-11)23(20,21)12-4-1-5-15-9-12/h1,4-6,8-9,11H,2-3,7,10H2,(H,16,17,19)
InChIKeyTWBBXQPFHWZUMN-UHFFFAOYSA-N
XLogP1.58
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-pyridin-3-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 5307272
1-quinolin-8-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 5308468
2-(methylsulfanyl)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 2679179
N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]pyridine-3-carboxamide
CID 1937328
N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide
CID 1098727
US10913733, Example 2
CID 129251530
US10913733, Example 6
CID 137362112
N-(3-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2307845
N-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 5309258
1-((4-acetamidophenyl)sulfonyl)-N-(thiazol-2-yl)piperidine-4-carboxamide
CID 8072992
1-{[4-(acetylamino)phenyl]sulfonyl}-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]piperidine-4-carboxamide
CID 17585889
3-(4-methylbenzenesulfonyl)-N-[4-(pyridin-3-yl)-1,3-thiazol-2-yl]propanamide
CID 22581356

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-pyridin-3-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 5309284) is 1-pyridin-3-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-pyridin-3-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-pyridin-3-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is O=C(Nc1nccs1)C1CCCN(S(=O)(=O)c2cccnc2)C1.
What is the InChIKey of 1-pyridin-3-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is TWBBXQPFHWZUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S2/c19-13(17-14-16-6-8-22-14)11-3-2-7-18(10-11)23(20,21)12-4-1-5-15-9-12/h1,4-6,8-9,11H,2-3,7,10H2,(H,16,17,19).
What are the key properties of 1-pyridin-3-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
1-pyridin-3-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 5309284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).