1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-2,2-dimethylpropan-1-one;hydrochloride

C15H28ClN3O2S — CID 120803886

IUPAC1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-2,2-dimethylpropan-1-one;hydrochloride
SMILESCC1(CN)CCN(C(=O)C2CSCN2C(=O)C(C)(C)C)C1.Cl
InChIInChI=1S/C15H27N3O2S.ClH/c1-14(2,3)13(20)18-10-21-7-11(18)12(19)17-6-5-15(4,8-16)9-17;/h11H,5-10,16H2,1-4H3;1H
InChIKeyWUPDIIAFHKUZCC-UHFFFAOYSA-N
MW349.93 g/mol
LogP1.55
Rot. Bonds2

About 1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-2,2-dimethylpropan-1-one;hydrochloride

1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-2,2-dimethylpropan-1-one;hydrochloride (PubChem CID 120803886) has the molecular formula C15H28ClN3O2S and a molecular weight of 349.93 g/mol. Its IUPAC name is 1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-2,2-dimethylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-2,2-dimethylpropan-1-one;hydrochloride
PubChem CID120803886
Molecular FormulaC15H28ClN3O2S
Molecular Weight349.93 g/mol
Exact Mass349.16
IUPAC Name1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-2,2-dimethylpropan-1-one;hydrochloride
SMILESCC1(CN)CCN(C(=O)C2CSCN2C(=O)C(C)(C)C)C1.Cl
InChIInChI=1S/C15H27N3O2S.ClH/c1-14(2,3)13(20)18-10-21-7-11(18)12(19)17-6-5-15(4,8-16)9-17;/h11H,5-10,16H2,1-4H3;1H
InChIKeyWUPDIIAFHKUZCC-UHFFFAOYSA-N
XLogP1.55
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.93
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-2,2-dimethylpropan-1-one
CID 120803887
1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one
CID 120809895
[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-cyclobutylmethanone;hydrochloride
CID 120807372
1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-2-methylbutan-1-one
CID 120806437
1-[4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-2,2-dimethylpropan-1-one
CID 119485277
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,4-dithian-2-yl)methanone
CID 120808563
2,2-dimethyl-1-[4-[3-(methylamino)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one;hydrochloride
CID 119490715
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-cyclopentylmethanone
CID 120806071
tert-butyl (3R)-3-(aminomethyl)-3-methylpyrrolidine-1-carboxylate
CID 96566504
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 120809161
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one;hydrochloride
CID 120805682
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-cyclohexylethanone;hydrochloride
CID 120805178

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-2,2-dimethylpropan-1-one;hydrochloride?
The IUPAC name of 1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-2,2-dimethylpropan-1-one;hydrochloride (CID 120803886) is 1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-2,2-dimethylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-2,2-dimethylpropan-1-one;hydrochloride?
The canonical SMILES for 1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-2,2-dimethylpropan-1-one;hydrochloride is CC1(CN)CCN(C(=O)C2CSCN2C(=O)C(C)(C)C)C1.Cl.
What is the InChIKey of 1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-2,2-dimethylpropan-1-one;hydrochloride?
The InChIKey is WUPDIIAFHKUZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S.ClH/c1-14(2,3)13(20)18-10-21-7-11(18)12(19)17-6-5-15(4,8-16)9-17;/h11H,5-10,16H2,1-4H3;1H.
What are the key properties of 1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-2,2-dimethylpropan-1-one;hydrochloride?
1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-2,2-dimethylpropan-1-one;hydrochloride has a molecular weight of 349.93 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-2,2-dimethylpropan-1-one;hydrochloride is sourced from PubChem (CID 120803886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).