(2S)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyrrolidine-2-carboxamide

C14H19N3O3S — CID 22689961

IUPAC(2S)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(N2CCCS2(=O)=O)c1)[C@@H]1CCCN1
InChIInChI=1S/C14H19N3O3S/c18-14(13-6-2-7-15-13)16-11-4-1-5-12(10-11)17-8-3-9-21(17,19)20/h1,4-5,10,13,15H,2-3,6-9H2,(H,16,18)/t13-/m0/s1
InChIKeyUPTWEPLOHWEIJR-ZDUSSCGKSA-N
MW309.39 g/mol
LogP0.92
Rot. Bonds3

About (2S)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyrrolidine-2-carboxamide

(2S)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 22689961) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is (2S)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID22689961
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name(2S)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(N2CCCS2(=O)=O)c1)[C@@H]1CCCN1
InChIInChI=1S/C14H19N3O3S/c18-14(13-6-2-7-15-13)16-11-4-1-5-12(10-11)17-8-3-9-21(17,19)20/h1,4-5,10,13,15H,2-3,6-9H2,(H,16,18)/t13-/m0/s1
InChIKeyUPTWEPLOHWEIJR-ZDUSSCGKSA-N
XLogP0.92
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119318237
(2R)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 103795360
N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119273024
N-[3-(2-oxopiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 119289998
N-(3-aminophenyl)pyrrolidine-2-carboxamide
CID 110481304
(2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide
CID 22691460
(2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]piperidine-2-carboxamide
CID 119902654
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide
CID 7638744
(2R)-2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide
CID 119289907
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-oxo-2-piperidin-1-ylacetamide
CID 45493330
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119294776
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]cyclopentanesulfonamide
CID 110302255

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyrrolidine-2-carboxamide (CID 22689961) is (2S)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyrrolidine-2-carboxamide is O=C(Nc1cccc(N2CCCS2(=O)=O)c1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is UPTWEPLOHWEIJR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19N3O3S/c18-14(13-6-2-7-15-13)16-11-4-1-5-12(10-11)17-8-3-9-21(17,19)20/h1,4-5,10,13,15H,2-3,6-9H2,(H,16,18)/t13-/m0/s1.
What are the key properties of (2S)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyrrolidine-2-carboxamide?
(2S)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 22689961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).