3-[[(2R)-pyrrolidin-2-yl]methyl]-1,3-thiazolidine-2,4-dione

C8H12N2O2S — CID 99737465

IUPAC3-[[(2R)-pyrrolidin-2-yl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1C[C@H]1CCCN1
InChIInChI=1S/C8H12N2O2S/c11-7-5-13-8(12)10(7)4-6-2-1-3-9-6/h6,9H,1-5H2/t6-/m1/s1
InChIKeyISVFNILDNKAYED-ZCFIWIBFSA-N
MW200.26 g/mol
LogP0.43
Rot. Bonds2

About 3-[[(2R)-pyrrolidin-2-yl]methyl]-1,3-thiazolidine-2,4-dione

3-[[(2R)-pyrrolidin-2-yl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 99737465) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 3-[[(2R)-pyrrolidin-2-yl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[(2R)-pyrrolidin-2-yl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID99737465
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name3-[[(2R)-pyrrolidin-2-yl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1C[C@H]1CCCN1
InChIInChI=1S/C8H12N2O2S/c11-7-5-13-8(12)10(7)4-6-2-1-3-9-6/h6,9H,1-5H2/t6-/m1/s1
InChIKeyISVFNILDNKAYED-ZCFIWIBFSA-N
XLogP0.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(S)-pyrrolidin-2-yl(thiazolidin-3-yl)methanone
CID 44422449
N-Cyclohexyl-2-(2,4-dioxo-thiazolidin-3-yl)-acetamide
CID 653300
4-(Pyrrolidine-1-carbonyl)-1,3-thiazolidine hydrochloride
CID 47002809
3-(2-Aminocyclohexyl)-1,3-thiazolidine-2,4-dione
CID 17591359
3-(2-Aminocyclohexyl)-1,3-thiazolidine-2,4-dione hydrochloride
CID 71779138
3-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 144287086
3-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 144287168
(2S)-1-[(2S)-1,3-thiazolidine-2-carbonyl]pyrrolidine-2-carbonitrile
CID 18391447
3-[2-(Propan-2-ylamino)ethyl]-1,3-thiazolidine-2,4-dione
CID 60690987
3-L-prolylthiazolidine hydrochloride
CID 70088371
(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-2-one
CID 71374314
3-(Pyrrolidin-3-yl)thiazolidine-2,4-dione
CID 72716703

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-pyrrolidin-2-yl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[[(2R)-pyrrolidin-2-yl]methyl]-1,3-thiazolidine-2,4-dione (CID 99737465) is 3-[[(2R)-pyrrolidin-2-yl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[[(2R)-pyrrolidin-2-yl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[[(2R)-pyrrolidin-2-yl]methyl]-1,3-thiazolidine-2,4-dione is O=C1CSC(=O)N1C[C@H]1CCCN1.
What is the InChIKey of 3-[[(2R)-pyrrolidin-2-yl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is ISVFNILDNKAYED-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H12N2O2S/c11-7-5-13-8(12)10(7)4-6-2-1-3-9-6/h6,9H,1-5H2/t6-/m1/s1.
What are the key properties of 3-[[(2R)-pyrrolidin-2-yl]methyl]-1,3-thiazolidine-2,4-dione?
3-[[(2R)-pyrrolidin-2-yl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 200.26 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-pyrrolidin-2-yl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 99737465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).