(4R)-1-(2-methoxyethyl)-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one

C16H22N2O3S — CID 94117809

IUPAC(4R)-1-(2-methoxyethyl)-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCOCCN1C[C@H](C(=O)N2CCC[C@H]2c2ccsc2)CC1=O
InChIInChI=1S/C16H22N2O3S/c1-21-7-6-17-10-13(9-15(17)19)16(20)18-5-2-3-14(18)12-4-8-22-11-12/h4,8,11,13-14H,2-3,5-7,9-10H2,1H3/t13-,14+/m1/s1
InChIKeyJPVDGFONOILYPV-KGLIPLIRSA-N
MW322.43 g/mol
LogP1.91
Rot. Bonds5

About (4R)-1-(2-methoxyethyl)-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one

(4R)-1-(2-methoxyethyl)-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 94117809) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is (4R)-1-(2-methoxyethyl)-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(2-methoxyethyl)-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
PubChem CID94117809
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name(4R)-1-(2-methoxyethyl)-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCOCCN1C[C@H](C(=O)N2CCC[C@H]2c2ccsc2)CC1=O
InChIInChI=1S/C16H22N2O3S/c1-21-7-6-17-10-13(9-15(17)19)16(20)18-5-2-3-14(18)12-4-8-22-11-12/h4,8,11,13-14H,2-3,5-7,9-10H2,1H3/t13-,14+/m1/s1
InChIKeyJPVDGFONOILYPV-KGLIPLIRSA-N
XLogP1.91
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-1-(2-methoxyethyl)-4-[(2R)-2-phenylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94047218
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667
1-(2-methoxyethyl)-4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 56798394
2-amino-5-methoxy-1-(2-thiophen-3-ylpyrrolidin-1-yl)pentan-1-one
CID 81083425
(4R)-1-(2-methoxyethyl)-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 94046017
(2S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94031902
(4S)-1-[(3S)-1,1-dioxothiolan-3-yl]-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 124731198
1-(2,3-dihydro-1H-inden-5-yl)-4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 55714290
1-[2-(dimethylamino)ethyl]-4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 74235101
(2R)-N-[(2S)-1-methoxypropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 97311685
4-methyl-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]pentan-1-one
CID 51948019
1-(2-thiophen-3-ylpiperidin-1-yl)ethanone
CID 102544384

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(2-methoxyethyl)-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(2-methoxyethyl)-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one (CID 94117809) is (4R)-1-(2-methoxyethyl)-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(2-methoxyethyl)-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(2-methoxyethyl)-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one is COCCN1C[C@H](C(=O)N2CCC[C@H]2c2ccsc2)CC1=O.
What is the InChIKey of (4R)-1-(2-methoxyethyl)-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is JPVDGFONOILYPV-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-21-7-6-17-10-13(9-15(17)19)16(20)18-5-2-3-14(18)12-4-8-22-11-12/h4,8,11,13-14H,2-3,5-7,9-10H2,1H3/t13-,14+/m1/s1.
What are the key properties of (4R)-1-(2-methoxyethyl)-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one?
(4R)-1-(2-methoxyethyl)-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 322.43 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(2-methoxyethyl)-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 94117809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).