3-(1-methylsulfonylpiperidin-3-yl)thieno[2,3-b]pyridine-2-carboxamide

C14H17N3O3S2 — CID 132777127

IUPAC3-(1-methylsulfonylpiperidin-3-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC(c2c(C(N)=O)sc3ncccc23)C1
InChIInChI=1S/C14H17N3O3S2/c1-22(19,20)17-7-3-4-9(8-17)11-10-5-2-6-16-14(10)21-12(11)13(15)18/h2,5-6,9H,3-4,7-8H2,1H3,(H2,15,18)
InChIKeyKGXZCVOSMMLJIM-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.53
Rot. Bonds3

About 3-(1-methylsulfonylpiperidin-3-yl)thieno[2,3-b]pyridine-2-carboxamide

3-(1-methylsulfonylpiperidin-3-yl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 132777127) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-(1-methylsulfonylpiperidin-3-yl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(1-methylsulfonylpiperidin-3-yl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID132777127
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC Name3-(1-methylsulfonylpiperidin-3-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC(c2c(C(N)=O)sc3ncccc23)C1
InChIInChI=1S/C14H17N3O3S2/c1-22(19,20)17-7-3-4-9(8-17)11-10-5-2-6-16-14(10)21-12(11)13(15)18/h2,5-6,9H,3-4,7-8H2,1H3,(H2,15,18)
InChIKeyKGXZCVOSMMLJIM-UHFFFAOYSA-N
XLogP1.53
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3S)-1-(pyridine-2-carbonyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 124999763
3-[4-(aminomethyl)cyclohexyl]thieno[2,3-b]pyridine-2-carboxamide;hydrochloride
CID 71298584
3-[1-[2-(benzotriazol-1-yl)acetyl]pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 110130503
3-[1-(2-fluorobenzoyl)piperidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 110109938
3-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 110130484
N,N-dimethyl-3-[(3S)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 124942891
5-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-thiazole
CID 124966701
cyclopentyl-[(3S)-3-[2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
CID 124971996
N-methyl-3-[1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 110130492
N,N-dimethyl-3-(4-pyrrolidin-1-ylsulfonylmorpholin-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 127248376
(1-methylsulfonylpiperidin-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 56535706
3-(1-methylsulfonylpiperidin-3-yl)-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 131953395

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylsulfonylpiperidin-3-yl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-(1-methylsulfonylpiperidin-3-yl)thieno[2,3-b]pyridine-2-carboxamide (CID 132777127) is 3-(1-methylsulfonylpiperidin-3-yl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-(1-methylsulfonylpiperidin-3-yl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-(1-methylsulfonylpiperidin-3-yl)thieno[2,3-b]pyridine-2-carboxamide is CS(=O)(=O)N1CCCC(c2c(C(N)=O)sc3ncccc23)C1.
What is the InChIKey of 3-(1-methylsulfonylpiperidin-3-yl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is KGXZCVOSMMLJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c1-22(19,20)17-7-3-4-9(8-17)11-10-5-2-6-16-14(10)21-12(11)13(15)18/h2,5-6,9H,3-4,7-8H2,1H3,(H2,15,18).
What are the key properties of 3-(1-methylsulfonylpiperidin-3-yl)thieno[2,3-b]pyridine-2-carboxamide?
3-(1-methylsulfonylpiperidin-3-yl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylsulfonylpiperidin-3-yl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 132777127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).