2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone

C17H27N3O2S — CID 129428107

IUPAC2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
SMILESCN(C)C[C@H]1CN(CC(=O)N2CCC[C@H]2c2cccs2)CCO1
InChIInChI=1S/C17H27N3O2S/c1-18(2)11-14-12-19(8-9-22-14)13-17(21)20-7-3-5-15(20)16-6-4-10-23-16/h4,6,10,14-15H,3,5,7-9,11-13H2,1-2H3/t14-,15-/m0/s1
InChIKeyRDJHMRCWJSZYHA-GJZGRUSLSA-N
MW337.49 g/mol
LogP1.67
Rot. Bonds5

About 2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone

2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone (PubChem CID 129428107) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is 2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
PubChem CID129428107
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
SMILESCN(C)C[C@H]1CN(CC(=O)N2CCC[C@H]2c2cccs2)CCO1
InChIInChI=1S/C17H27N3O2S/c1-18(2)11-14-12-19(8-9-22-14)13-17(21)20-7-3-5-15(20)16-6-4-10-23-16/h4,6,10,14-15H,3,5,7-9,11-13H2,1-2H3/t14-,15-/m0/s1
InChIKeyRDJHMRCWJSZYHA-GJZGRUSLSA-N
XLogP1.67
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-2-methylmorpholin-4-yl]-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 124737947
2-[(3R)-3-methylpiperazin-1-yl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 104975229
1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 63031694
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 94871156
2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 95763078
2-(3-pyrazol-1-ylazetidin-1-yl)-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 95611948
ethyl 4-oxo-4-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]butanoate
CID 95358126
ethyl 4-oxo-4-(2-thiophen-2-ylpyrrolidin-1-yl)butanoate
CID 60637327
2-[methyl(pyrrolidin-2-ylmethyl)amino]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 106613554
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 62039896
2-[(2-methylpropan-2-yl)oxy]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 112604716
4-amino-1-(2-thiophen-2-ylpyrrolidin-1-yl)butan-1-one
CID 60937933

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone?
The IUPAC name of 2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone (CID 129428107) is 2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone is CN(C)C[C@H]1CN(CC(=O)N2CCC[C@H]2c2cccs2)CCO1.
What is the InChIKey of 2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone?
The InChIKey is RDJHMRCWJSZYHA-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-18(2)11-14-12-19(8-9-22-14)13-17(21)20-7-3-5-15(20)16-6-4-10-23-16/h4,6,10,14-15H,3,5,7-9,11-13H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of 2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone?
2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone has a molecular weight of 337.49 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 129428107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).