3-[(3S)-1-(thiophene-3-carbonyl)pyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione

C12H12N2O3S2 — CID 99878132

IUPAC3-[(3S)-1-(thiophene-3-carbonyl)pyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione
SMILESO=C(c1ccsc1)N1CC[C@H](N2C(=O)CSC2=O)C1
InChIInChI=1S/C12H12N2O3S2/c15-10-7-19-12(17)14(10)9-1-3-13(5-9)11(16)8-2-4-18-6-8/h2,4,6,9H,1,3,5,7H2/t9-/m0/s1
InChIKeyZFKVPWVALCMXLN-VIFPVBQESA-N
MW296.37 g/mol
LogP1.66
Rot. Bonds2

About 3-[(3S)-1-(thiophene-3-carbonyl)pyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione

3-[(3S)-1-(thiophene-3-carbonyl)pyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione (PubChem CID 99878132) has the molecular formula C12H12N2O3S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-[(3S)-1-(thiophene-3-carbonyl)pyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3S)-1-(thiophene-3-carbonyl)pyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione
PubChem CID99878132
Molecular FormulaC12H12N2O3S2
Molecular Weight296.37 g/mol
Exact Mass296.03
IUPAC Name3-[(3S)-1-(thiophene-3-carbonyl)pyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione
SMILESO=C(c1ccsc1)N1CC[C@H](N2C(=O)CSC2=O)C1
InChIInChI=1S/C12H12N2O3S2/c15-10-7-19-12(17)14(10)9-1-3-13(5-9)11(16)8-2-4-18-6-8/h2,4,6,9H,1,3,5,7H2/t9-/m0/s1
InChIKeyZFKVPWVALCMXLN-VIFPVBQESA-N
XLogP1.66
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(3R)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 99991762
3-[(3S)-1-(naphthalene-1-carbonyl)pyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 99991790
3-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 121157074
4-[4-(2,4-dioxo-1,3-thiazolidin-3-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 121157013
3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 86265737
(3R)-N-(3,4-dimethylphenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)pyrrolidine-1-carboxamide
CID 100728995
3-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 121157026
3-[1-(4-methoxybenzoyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 121155024
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 70732293
(3R)-1-(thiophene-3-carbonyl)piperidine-3-carboxylic acid
CID 30044914
[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 86264897
1-[1-(thiophene-3-carbonyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121153785

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(thiophene-3-carbonyl)pyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[(3S)-1-(thiophene-3-carbonyl)pyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione (CID 99878132) is 3-[(3S)-1-(thiophene-3-carbonyl)pyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[(3S)-1-(thiophene-3-carbonyl)pyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[(3S)-1-(thiophene-3-carbonyl)pyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione is O=C(c1ccsc1)N1CC[C@H](N2C(=O)CSC2=O)C1.
What is the InChIKey of 3-[(3S)-1-(thiophene-3-carbonyl)pyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione?
The InChIKey is ZFKVPWVALCMXLN-VIFPVBQESA-N. The full InChI is InChI=1S/C12H12N2O3S2/c15-10-7-19-12(17)14(10)9-1-3-13(5-9)11(16)8-2-4-18-6-8/h2,4,6,9H,1,3,5,7H2/t9-/m0/s1.
What are the key properties of 3-[(3S)-1-(thiophene-3-carbonyl)pyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione?
3-[(3S)-1-(thiophene-3-carbonyl)pyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione has a molecular weight of 296.37 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(thiophene-3-carbonyl)pyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 99878132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).