(4S)-1-[(3S)-1,1-dioxothiolan-3-yl]-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one

C17H22N2O4S2 — CID 124731198

IUPAC(4S)-1-[(3S)-1,1-dioxothiolan-3-yl]-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1C[C@H](C(=O)N2CCC[C@H]2c2ccsc2)CN1[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C17H22N2O4S2/c20-16-8-13(9-19(16)14-4-7-25(22,23)11-14)17(21)18-5-1-2-15(18)12-3-6-24-10-12/h3,6,10,13-15H,1-2,4-5,7-9,11H2/t13-,14-,15-/m0/s1
InChIKeyIRTBXSIOMDFFQF-KKUMJFAQSA-N
MW382.51 g/mol
LogP1.45
Rot. Bonds3

About (4S)-1-[(3S)-1,1-dioxothiolan-3-yl]-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one

(4S)-1-[(3S)-1,1-dioxothiolan-3-yl]-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 124731198) has the molecular formula C17H22N2O4S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is (4S)-1-[(3S)-1,1-dioxothiolan-3-yl]-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-[(3S)-1,1-dioxothiolan-3-yl]-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
PubChem CID124731198
Molecular FormulaC17H22N2O4S2
Molecular Weight382.51 g/mol
Exact Mass382.10
IUPAC Name(4S)-1-[(3S)-1,1-dioxothiolan-3-yl]-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1C[C@H](C(=O)N2CCC[C@H]2c2ccsc2)CN1[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C17H22N2O4S2/c20-16-8-13(9-19(16)14-4-7-25(22,23)11-14)17(21)18-5-1-2-15(18)12-3-6-24-10-12/h3,6,10,13-15H,1-2,4-5,7-9,11H2/t13-,14-,15-/m0/s1
InChIKeyIRTBXSIOMDFFQF-KKUMJFAQSA-N
XLogP1.45
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4S)-1-[(3S)-1,1-dioxothiolan-3-yl]-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667
1-(1,1-dioxothiolan-3-yl)-4-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 146086918
1-(2,3-dihydro-1H-inden-5-yl)-4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 55714290
(4R)-1-(2-methoxyethyl)-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94117809
(5S)-5-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]piperidin-2-one
CID 94171138
(4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-[(3R)-1,1-dioxothiolan-3-yl]pyrrolidin-2-one
CID 95276913
(4R)-1-[(3S)-1,1-dioxothiolan-3-yl]-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 25354358
1-(2-thiophen-3-ylpiperidin-1-yl)ethanone
CID 102544384
(4R)-1-cyclopropyl-4-[(2S)-2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95567810
cis-(1R,2S)-2-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 124675357
2,2-dimethyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one
CID 64591656
1-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113184750

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[(3S)-1,1-dioxothiolan-3-yl]-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-[(3S)-1,1-dioxothiolan-3-yl]-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one (CID 124731198) is (4S)-1-[(3S)-1,1-dioxothiolan-3-yl]-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-[(3S)-1,1-dioxothiolan-3-yl]-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-[(3S)-1,1-dioxothiolan-3-yl]-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one is O=C1C[C@H](C(=O)N2CCC[C@H]2c2ccsc2)CN1[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (4S)-1-[(3S)-1,1-dioxothiolan-3-yl]-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is IRTBXSIOMDFFQF-KKUMJFAQSA-N. The full InChI is InChI=1S/C17H22N2O4S2/c20-16-8-13(9-19(16)14-4-7-25(22,23)11-14)17(21)18-5-1-2-15(18)12-3-6-24-10-12/h3,6,10,13-15H,1-2,4-5,7-9,11H2/t13-,14-,15-/m0/s1.
What are the key properties of (4S)-1-[(3S)-1,1-dioxothiolan-3-yl]-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one?
(4S)-1-[(3S)-1,1-dioxothiolan-3-yl]-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 382.51 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[(3S)-1,1-dioxothiolan-3-yl]-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 124731198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).