1-[2-[(2R)-2-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]pyrrolidin-1-yl]-2-oxoethyl]-4-methylpyridin-2-one

C18H22N2O3S — CID 124627796

IUPAC1-[2-[(2R)-2-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]pyrrolidin-1-yl]-2-oxoethyl]-4-methylpyridin-2-one
SMILESCc1ccn(CC(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)c(=O)c1
InChIInChI=1S/C18H22N2O3S/c1-13-6-8-19(17(22)10-13)12-18(23)20-7-2-4-14(20)11-15(21)16-5-3-9-24-16/h3,5-6,8-10,14-15,21H,2,4,7,11-12H2,1H3/t14-,15+/m1/s1
InChIKeyICEMJXFGHRIQHI-CABCVRRESA-N
MW346.45 g/mol
LogP2.33
Rot. Bonds5

About 1-[2-[(2R)-2-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]pyrrolidin-1-yl]-2-oxoethyl]-4-methylpyridin-2-one

1-[2-[(2R)-2-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]pyrrolidin-1-yl]-2-oxoethyl]-4-methylpyridin-2-one (PubChem CID 124627796) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-[2-[(2R)-2-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]pyrrolidin-1-yl]-2-oxoethyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-[2-[(2R)-2-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]pyrrolidin-1-yl]-2-oxoethyl]-4-methylpyridin-2-one
PubChem CID124627796
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name1-[2-[(2R)-2-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]pyrrolidin-1-yl]-2-oxoethyl]-4-methylpyridin-2-one
SMILESCc1ccn(CC(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)c(=O)c1
InChIInChI=1S/C18H22N2O3S/c1-13-6-8-19(17(22)10-13)12-18(23)20-7-2-4-14(20)11-15(21)16-5-3-9-24-16/h3,5-6,8-10,14-15,21H,2,4,7,11-12H2,1H3/t14-,15+/m1/s1
InChIKeyICEMJXFGHRIQHI-CABCVRRESA-N
XLogP2.33
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(2R)-2-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]pyrrolidin-1-yl]-2-oxoethyl]-4-methylpyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 122137801
1-[(2S)-2-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone
CID 124615927
tert-butyl 2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidine-1-carboxylate
CID 115755561
(2R,3R)-2-methyl-1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid
CID 122116736
3-[[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 122018652
2-ethyl-5-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidine-1-carbonyl]furan-3-carboxylic acid
CID 120822175
4-[[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122022288
[(2S)-2-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]pyrrolidin-1-yl]-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone
CID 125140633
ethyl 3-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidin-1-yl]propanoate
CID 111858454
(2R)-2-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-N-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-1-carboxamide
CID 124617012
2-(2-hydroxy-2-thiophen-2-ylethyl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide
CID 122139751
(2R)-2-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide
CID 125140445

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-2-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]pyrrolidin-1-yl]-2-oxoethyl]-4-methylpyridin-2-one?
The IUPAC name of 1-[2-[(2R)-2-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]pyrrolidin-1-yl]-2-oxoethyl]-4-methylpyridin-2-one (CID 124627796) is 1-[2-[(2R)-2-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]pyrrolidin-1-yl]-2-oxoethyl]-4-methylpyridin-2-one.
What is the SMILES notation for 1-[2-[(2R)-2-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]pyrrolidin-1-yl]-2-oxoethyl]-4-methylpyridin-2-one?
The canonical SMILES for 1-[2-[(2R)-2-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]pyrrolidin-1-yl]-2-oxoethyl]-4-methylpyridin-2-one is Cc1ccn(CC(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)c(=O)c1.
What is the InChIKey of 1-[2-[(2R)-2-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]pyrrolidin-1-yl]-2-oxoethyl]-4-methylpyridin-2-one?
The InChIKey is ICEMJXFGHRIQHI-CABCVRRESA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13-6-8-19(17(22)10-13)12-18(23)20-7-2-4-14(20)11-15(21)16-5-3-9-24-16/h3,5-6,8-10,14-15,21H,2,4,7,11-12H2,1H3/t14-,15+/m1/s1.
What are the key properties of 1-[2-[(2R)-2-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]pyrrolidin-1-yl]-2-oxoethyl]-4-methylpyridin-2-one?
1-[2-[(2R)-2-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]pyrrolidin-1-yl]-2-oxoethyl]-4-methylpyridin-2-one has a molecular weight of 346.45 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-2-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]pyrrolidin-1-yl]-2-oxoethyl]-4-methylpyridin-2-one is sourced from PubChem (CID 124627796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).