(6-methyl-2-pyridinyl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone

C15H16N2OS — CID 51948058

IUPAC(6-methyl-2-pyridinyl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCC[C@H]2c2ccsc2)n1
InChIInChI=1S/C15H16N2OS/c1-11-4-2-5-13(16-11)15(18)17-8-3-6-14(17)12-7-9-19-10-12/h2,4-5,7,9-10,14H,3,6,8H2,1H3/t14-/m0/s1
InChIKeyXEKLOJRCYMZCDR-AWEZNQCLSA-N
MW272.37 g/mol
LogP3.43
Rot. Bonds2

About (6-methyl-2-pyridinyl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone

(6-methyl-2-pyridinyl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone (PubChem CID 51948058) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is (6-methyl-2-pyridinyl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-methyl-2-pyridinyl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
PubChem CID51948058
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name(6-methyl-2-pyridinyl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCC[C@H]2c2ccsc2)n1
InChIInChI=1S/C15H16N2OS/c1-11-4-2-5-13(16-11)15(18)17-8-3-6-14(17)12-7-9-19-10-12/h2,4-5,7,9-10,14H,3,6,8H2,1H3/t14-/m0/s1
InChIKeyXEKLOJRCYMZCDR-AWEZNQCLSA-N
XLogP3.43
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6-fluoro-2-pyridinyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 115497489
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 95336725
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
[6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridinyl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 43070750
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94866933
5-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 124701017
imidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94480249
pyridin-3-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51729082
(3-chlorophenyl)-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51728774
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667
2,2-dimethyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one
CID 64591656
[3-(methylsulfinylmethyl)phenyl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 71941539

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2-pyridinyl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (6-methyl-2-pyridinyl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone (CID 51948058) is (6-methyl-2-pyridinyl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-methyl-2-pyridinyl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (6-methyl-2-pyridinyl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone is Cc1cccc(C(=O)N2CCC[C@H]2c2ccsc2)n1.
What is the InChIKey of (6-methyl-2-pyridinyl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
The InChIKey is XEKLOJRCYMZCDR-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-11-4-2-5-13(16-11)15(18)17-8-3-6-14(17)12-7-9-19-10-12/h2,4-5,7,9-10,14H,3,6,8H2,1H3/t14-/m0/s1.
What are the key properties of (6-methyl-2-pyridinyl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
(6-methyl-2-pyridinyl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone has a molecular weight of 272.37 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2-pyridinyl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 51948058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).