(3-cyclopropylthiophen-2-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone

C18H26N2O2S — CID 97026553

IUPAC(3-cyclopropylthiophen-2-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
SMILESCC[C@@H]1CN(C(=O)c2sccc2C2CC2)C[C@@H]1N1CCOCC1
InChIInChI=1S/C18H26N2O2S/c1-2-13-11-20(12-16(13)19-6-8-22-9-7-19)18(21)17-15(5-10-23-17)14-3-4-14/h5,10,13-14,16H,2-4,6-9,11-12H2,1H3/t13-,16+/m1/s1
InChIKeyCGQTWVUANUUXAZ-CJNGLKHVSA-N
MW334.49 g/mol
LogP2.81
Rot. Bonds4

About (3-cyclopropylthiophen-2-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone

(3-cyclopropylthiophen-2-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone (PubChem CID 97026553) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is (3-cyclopropylthiophen-2-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-cyclopropylthiophen-2-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
PubChem CID97026553
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC Name(3-cyclopropylthiophen-2-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
SMILESCC[C@@H]1CN(C(=O)c2sccc2C2CC2)C[C@@H]1N1CCOCC1
InChIInChI=1S/C18H26N2O2S/c1-2-13-11-20(12-16(13)19-6-8-22-9-7-19)18(21)17-15(5-10-23-17)14-3-4-14/h5,10,13-14,16H,2-4,6-9,11-12H2,1H3/t13-,16+/m1/s1
InChIKeyCGQTWVUANUUXAZ-CJNGLKHVSA-N
XLogP2.81
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-cyclopropylthiophen-2-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(2-cyclopropylpyrimidin-4-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 97026721
(2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 96997048
[(3S,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 96996371
1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-thiophen-3-ylpropan-1-one
CID 71927855
[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 97026755
[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(6-methoxypyridazin-3-yl)methanone
CID 97026691
6-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
CID 97026677
(3R)-1-(3-cyclopropylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 125148455
(3-aminopyrazin-2-yl)-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 71871958
1-(3-cyclopropylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 119167865
(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 71871964
(4R)-4-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]-1-methylpiperidin-2-one
CID 97026341

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropylthiophen-2-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (3-cyclopropylthiophen-2-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone (CID 97026553) is (3-cyclopropylthiophen-2-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-cyclopropylthiophen-2-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (3-cyclopropylthiophen-2-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone is CC[C@@H]1CN(C(=O)c2sccc2C2CC2)C[C@@H]1N1CCOCC1.
What is the InChIKey of (3-cyclopropylthiophen-2-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
The InChIKey is CGQTWVUANUUXAZ-CJNGLKHVSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-2-13-11-20(12-16(13)19-6-8-22-9-7-19)18(21)17-15(5-10-23-17)14-3-4-14/h5,10,13-14,16H,2-4,6-9,11-12H2,1H3/t13-,16+/m1/s1.
What are the key properties of (3-cyclopropylthiophen-2-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
(3-cyclopropylthiophen-2-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone has a molecular weight of 334.49 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropylthiophen-2-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 97026553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).