3-[(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione

C16H15N3O4S2 — CID 99991977

IUPAC3-[(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1[C@@H]1CCN(S(=O)(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C16H15N3O4S2/c20-14-10-24-16(21)19(14)12-6-8-18(9-12)25(22,23)13-5-1-3-11-4-2-7-17-15(11)13/h1-5,7,12H,6,8-10H2/t12-/m1/s1
InChIKeyMDPUPAGODNNVJM-GFCCVEGCSA-N
MW377.45 g/mol
LogP1.69
Rot. Bonds3

About 3-[(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione

3-[(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione (PubChem CID 99991977) has the molecular formula C16H15N3O4S2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 3-[(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione
PubChem CID99991977
Molecular FormulaC16H15N3O4S2
Molecular Weight377.45 g/mol
Exact Mass377.05
IUPAC Name3-[(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1[C@@H]1CCN(S(=O)(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C16H15N3O4S2/c20-14-10-24-16(21)19(14)12-6-8-18(9-12)25(22,23)13-5-1-3-11-4-2-7-17-15(11)13/h1-5,7,12H,6,8-10H2/t12-/m1/s1
InChIKeyMDPUPAGODNNVJM-GFCCVEGCSA-N
XLogP1.69
TPSA87.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

3-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 99991867
(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-amine
CID 119962398
8-(4-pyrrol-1-ylpiperidin-1-yl)sulfonylquinoline
CID 2809715
8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)quinoline
CID 22202524
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
N-methyl-1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine
CID 119977492
1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)pyrazole-4-carboxamide
CID 126947951
3-[(3S)-1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 99991927
8-piperidin-1-ylsulfonylquinoline
CID 768759
8-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylquinoline
CID 97416492
8-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylquinoline
CID 97416493
1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethanamine
CID 119974617

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione (CID 99991977) is 3-[(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione is O=C1CSC(=O)N1[C@@H]1CCN(S(=O)(=O)c2cccc3cccnc23)C1.
What is the InChIKey of 3-[(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione?
The InChIKey is MDPUPAGODNNVJM-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15N3O4S2/c20-14-10-24-16(21)19(14)12-6-8-18(9-12)25(22,23)13-5-1-3-11-4-2-7-17-15(11)13/h1-5,7,12H,6,8-10H2/t12-/m1/s1.
What are the key properties of 3-[(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione?
3-[(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione has a molecular weight of 377.45 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 99991977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).