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

C15H16N2OS — CID 29284515

IUPAC(6-methyl-3-pyridinyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC[C@@H]2c2cccs2)cn1
InChIInChI=1S/C15H16N2OS/c1-11-6-7-12(10-16-11)15(18)17-8-2-4-13(17)14-5-3-9-19-14/h3,5-7,9-10,13H,2,4,8H2,1H3/t13-/m1/s1
InChIKeyQDTJUNITARKFQK-CYBMUJFWSA-N
MW272.37 g/mol
LogP3.43
Rot. Bonds2

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

(6-methyl-3-pyridinyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone (PubChem CID 29284515) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is (6-methyl-3-pyridinyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-methyl-3-pyridinyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
PubChem CID29284515
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name(6-methyl-3-pyridinyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC[C@@H]2c2cccs2)cn1
InChIInChI=1S/C15H16N2OS/c1-11-6-7-12(10-16-11)15(18)17-8-2-4-13(17)14-5-3-9-19-14/h3,5-7,9-10,13H,2,4,8H2,1H3/t13-/m1/s1
InChIKeyQDTJUNITARKFQK-CYBMUJFWSA-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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Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyridinyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (6-methyl-3-pyridinyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone (CID 29284515) is (6-methyl-3-pyridinyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-methyl-3-pyridinyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (6-methyl-3-pyridinyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone is Cc1ccc(C(=O)N2CCC[C@@H]2c2cccs2)cn1.
What is the InChIKey of (6-methyl-3-pyridinyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone?
The InChIKey is QDTJUNITARKFQK-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-11-6-7-12(10-16-11)15(18)17-8-2-4-13(17)14-5-3-9-19-14/h3,5-7,9-10,13H,2,4,8H2,1H3/t13-/m1/s1.
What are the key properties of (6-methyl-3-pyridinyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone?
(6-methyl-3-pyridinyl)-[(2R)-2-thiophen-2-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-3-pyridinyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 29284515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).