(4R,5S)-1-methyl-4-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one

C14H18N2O3S — CID 97457021

IUPAC(4R,5S)-1-methyl-4-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one
SMILESCN1C(=O)C[C@@H](C(=O)N2CCOCC2)[C@H]1c1cccs1
InChIInChI=1S/C14H18N2O3S/c1-15-12(17)9-10(13(15)11-3-2-8-20-11)14(18)16-4-6-19-7-5-16/h2-3,8,10,13H,4-7,9H2,1H3/t10-,13+/m1/s1
InChIKeyWKKQQAKWKMLDCM-MFKMUULPSA-N
MW294.38 g/mol
LogP1.13
Rot. Bonds2

About (4R,5S)-1-methyl-4-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one

(4R,5S)-1-methyl-4-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one (PubChem CID 97457021) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is (4R,5S)-1-methyl-4-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-1-methyl-4-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one
PubChem CID97457021
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name(4R,5S)-1-methyl-4-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one
SMILESCN1C(=O)C[C@@H](C(=O)N2CCOCC2)[C@H]1c1cccs1
InChIInChI=1S/C14H18N2O3S/c1-15-12(17)9-10(13(15)11-3-2-8-20-11)14(18)16-4-6-19-7-5-16/h2-3,8,10,13H,4-7,9H2,1H3/t10-,13+/m1/s1
InChIKeyWKKQQAKWKMLDCM-MFKMUULPSA-N
XLogP1.13
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-(piperidine-1-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one
CID 75538102
(2S)-4-[(2S,3S)-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl]morpholine-2-carboxylic acid
CID 125152129
1-(1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 91953964
(4S,5S)-4-[(3S)-3-(aminomethyl)pyrrolidine-1-carbonyl]-1-methyl-5-thiophen-2-ylpyrrolidin-2-one
CID 125146356
(4R,5R)-5-(4-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 95740393
(4R,5R)-5-(3-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 95740527
(4S,5S)-5-(3-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 95740528
2-[methyl-[(2S,3R)-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl]amino]acetic acid
CID 125154369
2-[methyl-(1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl)amino]acetic acid
CID 119172352
(5R,6R)-5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-6-thiophen-2-ylpiperidin-2-one
CID 124853509
N-cyclohexyl-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 75538079
1-methyl-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 75538089

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-1-methyl-4-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one?
The IUPAC name of (4R,5S)-1-methyl-4-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one (CID 97457021) is (4R,5S)-1-methyl-4-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one.
What is the SMILES notation for (4R,5S)-1-methyl-4-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one?
The canonical SMILES for (4R,5S)-1-methyl-4-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one is CN1C(=O)C[C@@H](C(=O)N2CCOCC2)[C@H]1c1cccs1.
What is the InChIKey of (4R,5S)-1-methyl-4-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one?
The InChIKey is WKKQQAKWKMLDCM-MFKMUULPSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-15-12(17)9-10(13(15)11-3-2-8-20-11)14(18)16-4-6-19-7-5-16/h2-3,8,10,13H,4-7,9H2,1H3/t10-,13+/m1/s1.
What are the key properties of (4R,5S)-1-methyl-4-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one?
(4R,5S)-1-methyl-4-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one has a molecular weight of 294.38 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-1-methyl-4-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one is sourced from PubChem (CID 97457021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).