(4S)-1-ethyl-4-[(2S)-2-thiophen-2-ylmorpholine-4-carbonyl]pyrrolidin-2-one

C15H20N2O3S — CID 97099734

IUPAC(4S)-1-ethyl-4-[(2S)-2-thiophen-2-ylmorpholine-4-carbonyl]pyrrolidin-2-one
SMILESCCN1C[C@@H](C(=O)N2CCO[C@H](c3cccs3)C2)CC1=O
InChIInChI=1S/C15H20N2O3S/c1-2-16-9-11(8-14(16)18)15(19)17-5-6-20-12(10-17)13-4-3-7-21-13/h3-4,7,11-12H,2,5-6,8-10H2,1H3/t11-,12-/m0/s1
InChIKeyYCTBCHCOHGDWDG-RYUDHWBXSA-N
MW308.40 g/mol
LogP1.52
Rot. Bonds3

About (4S)-1-ethyl-4-[(2S)-2-thiophen-2-ylmorpholine-4-carbonyl]pyrrolidin-2-one

(4S)-1-ethyl-4-[(2S)-2-thiophen-2-ylmorpholine-4-carbonyl]pyrrolidin-2-one (PubChem CID 97099734) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is (4S)-1-ethyl-4-[(2S)-2-thiophen-2-ylmorpholine-4-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-ethyl-4-[(2S)-2-thiophen-2-ylmorpholine-4-carbonyl]pyrrolidin-2-one
PubChem CID97099734
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name(4S)-1-ethyl-4-[(2S)-2-thiophen-2-ylmorpholine-4-carbonyl]pyrrolidin-2-one
SMILESCCN1C[C@@H](C(=O)N2CCO[C@H](c3cccs3)C2)CC1=O
InChIInChI=1S/C15H20N2O3S/c1-2-16-9-11(8-14(16)18)15(19)17-5-6-20-12(10-17)13-4-3-7-21-13/h3-4,7,11-12H,2,5-6,8-10H2,1H3/t11-,12-/m0/s1
InChIKeyYCTBCHCOHGDWDG-RYUDHWBXSA-N
XLogP1.52
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-1-ethyl-4-[(2R)-2-(2-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 95174415
(3-aminocyclopentyl)-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride
CID 119757298
1-ethyl-4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carbonyl)pyrrolidin-2-one
CID 126775978
morpholin-3-yl-(2-thiophen-2-ylmorpholin-4-yl)methanone
CID 119757293
2-(methylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride
CID 119757306
morpholin-3-yl-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride
CID 119757292
4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid
CID 119239066
(4S)-1-(cyclopropylmethyl)-4-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94091385
(4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 94098725
2-(cyclopropylmethylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone
CID 119757315
(3-amino-2-bicyclo[2.2.1]heptanyl)-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride
CID 119757300
2-ethyl-5-(2-thiophen-2-ylmorpholine-4-carbonyl)furan-3-carboxylic acid
CID 120822318

Frequently Asked Questions

What is the IUPAC name of (4S)-1-ethyl-4-[(2S)-2-thiophen-2-ylmorpholine-4-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-ethyl-4-[(2S)-2-thiophen-2-ylmorpholine-4-carbonyl]pyrrolidin-2-one (CID 97099734) is (4S)-1-ethyl-4-[(2S)-2-thiophen-2-ylmorpholine-4-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-ethyl-4-[(2S)-2-thiophen-2-ylmorpholine-4-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-ethyl-4-[(2S)-2-thiophen-2-ylmorpholine-4-carbonyl]pyrrolidin-2-one is CCN1C[C@@H](C(=O)N2CCO[C@H](c3cccs3)C2)CC1=O.
What is the InChIKey of (4S)-1-ethyl-4-[(2S)-2-thiophen-2-ylmorpholine-4-carbonyl]pyrrolidin-2-one?
The InChIKey is YCTBCHCOHGDWDG-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-2-16-9-11(8-14(16)18)15(19)17-5-6-20-12(10-17)13-4-3-7-21-13/h3-4,7,11-12H,2,5-6,8-10H2,1H3/t11-,12-/m0/s1.
What are the key properties of (4S)-1-ethyl-4-[(2S)-2-thiophen-2-ylmorpholine-4-carbonyl]pyrrolidin-2-one?
(4S)-1-ethyl-4-[(2S)-2-thiophen-2-ylmorpholine-4-carbonyl]pyrrolidin-2-one has a molecular weight of 308.40 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-ethyl-4-[(2S)-2-thiophen-2-ylmorpholine-4-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 97099734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).