3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one;hydrochloride

C11H20ClN3O2S — CID 120807652

IUPAC3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one;hydrochloride
SMILESCC1(CN)CCN(C(=O)CN2CCSC2=O)C1.Cl
InChIInChI=1S/C11H19N3O2S.ClH/c1-11(7-12)2-3-14(8-11)9(15)6-13-4-5-17-10(13)16;/h2-8,12H2,1H3;1H
InChIKeyMLMZGJNPQXWAGC-UHFFFAOYSA-N
MW293.82 g/mol
LogP0.77
Rot. Bonds3

About 3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one;hydrochloride

3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one;hydrochloride (PubChem CID 120807652) has the molecular formula C11H20ClN3O2S and a molecular weight of 293.82 g/mol. Its IUPAC name is 3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one;hydrochloride
PubChem CID120807652
Molecular FormulaC11H20ClN3O2S
Molecular Weight293.82 g/mol
Exact Mass293.10
IUPAC Name3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one;hydrochloride
SMILESCC1(CN)CCN(C(=O)CN2CCSC2=O)C1.Cl
InChIInChI=1S/C11H19N3O2S.ClH/c1-11(7-12)2-3-14(8-11)9(15)6-13-4-5-17-10(13)16;/h2-8,12H2,1H3;1H
InChIKeyMLMZGJNPQXWAGC-UHFFFAOYSA-N
XLogP0.77
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 50.77
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-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one
CID 58847393
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-cyclohexylethanone;hydrochloride
CID 120805178
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione;hydrochloride
CID 120805038
3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione;hydrochloride
CID 120808634
2-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-bromoisoindole-1,3-dione
CID 120810277
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-ethylphenyl)ethanone
CID 120808109
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one;dihydrochloride
CID 120807012
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone
CID 120805665
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(3-methylbutylsulfanyl)ethanone
CID 120806521
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-methylhexan-1-one;hydrochloride
CID 120803884
3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 120807773
3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
CID 120809231

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one;hydrochloride?
The IUPAC name of 3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one;hydrochloride (CID 120807652) is 3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one;hydrochloride.
What is the SMILES notation for 3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one;hydrochloride?
The canonical SMILES for 3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one;hydrochloride is CC1(CN)CCN(C(=O)CN2CCSC2=O)C1.Cl.
What is the InChIKey of 3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one;hydrochloride?
The InChIKey is MLMZGJNPQXWAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S.ClH/c1-11(7-12)2-3-14(8-11)9(15)6-13-4-5-17-10(13)16;/h2-8,12H2,1H3;1H.
What are the key properties of 3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one;hydrochloride?
3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one;hydrochloride has a molecular weight of 293.82 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one;hydrochloride is sourced from PubChem (CID 120807652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).