3-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-2,4-dione;hydrochloride

C8H13ClN2O2S — CID 86262251

IUPAC3-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-2,4-dione;hydrochloride
SMILESCl.O=C1CSC(=O)N1CC1CCCN1
InChIInChI=1S/C8H12N2O2S.ClH/c11-7-5-13-8(12)10(7)4-6-2-1-3-9-6;/h6,9H,1-5H2;1H
InChIKeyCYZQUGSSDAKDDE-UHFFFAOYSA-N
MW236.72 g/mol
LogP0.86
Rot. Bonds2

About 3-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-2,4-dione;hydrochloride

3-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-2,4-dione;hydrochloride (PubChem CID 86262251) has the molecular formula C8H13ClN2O2S and a molecular weight of 236.72 g/mol. Its IUPAC name is 3-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-2,4-dione;hydrochloride
PubChem CID86262251
Molecular FormulaC8H13ClN2O2S
Molecular Weight236.72 g/mol
Exact Mass236.04
IUPAC Name3-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-2,4-dione;hydrochloride
SMILESCl.O=C1CSC(=O)N1CC1CCCN1
InChIInChI=1S/C8H12N2O2S.ClH/c11-7-5-13-8(12)10(7)4-6-2-1-3-9-6;/h6,9H,1-5H2;1H
InChIKeyCYZQUGSSDAKDDE-UHFFFAOYSA-N
XLogP0.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.72
LogP ≤ 50.86
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

3,4-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine-2,5-dione
CID 102819845
3-[[(2S)-pyrrolidin-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one
CID 53381836
4,4-dimethyl-1-(pyrrolidin-2-ylmethyl)piperidine-2,6-dione
CID 62930379
8-(pyrrolidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione
CID 62540613
3-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 99737469
N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119311147
11-[[(2S)-pyrrolidin-2-yl]methyl]-6H-benzo[c][1,5]benzothiazepine;hydrochloride
CID 67834687
2-(pyrrolidin-2-ylmethyl)triazole;hydrochloride
CID 86262246
1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one
CID 94889645
11-(pyrrolidin-2-ylmethyl)-6H-benzo[c][1,5]benzothiazepine
CID 19981909
7-hydroxy-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one
CID 105490958
2-(piperidin-2-ylmethyl)-2-azaspiro[4.5]decane-1,3-dione
CID 43437191

Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-2,4-dione;hydrochloride?
The IUPAC name of 3-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-2,4-dione;hydrochloride (CID 86262251) is 3-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 3-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 3-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-2,4-dione;hydrochloride is Cl.O=C1CSC(=O)N1CC1CCCN1.
What is the InChIKey of 3-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-2,4-dione;hydrochloride?
The InChIKey is CYZQUGSSDAKDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S.ClH/c11-7-5-13-8(12)10(7)4-6-2-1-3-9-6;/h6,9H,1-5H2;1H.
What are the key properties of 3-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-2,4-dione;hydrochloride?
3-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-2,4-dione;hydrochloride has a molecular weight of 236.72 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 86262251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).