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

C15H26ClN3O2S — CID 120807372

IUPAC[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-cyclobutylmethanone;hydrochloride
SMILESCC1(CN)CCN(C(=O)C2CSCN2C(=O)C2CCC2)C1.Cl
InChIInChI=1S/C15H25N3O2S.ClH/c1-15(8-16)5-6-17(9-15)14(20)12-7-21-10-18(12)13(19)11-3-2-4-11;/h11-12H,2-10,16H2,1H3;1H
InChIKeyXNPCDKHOTMNRMI-UHFFFAOYSA-N
MW347.91 g/mol
LogP1.31
Rot. Bonds3

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

[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-cyclobutylmethanone;hydrochloride (PubChem CID 120807372) has the molecular formula C15H26ClN3O2S and a molecular weight of 347.91 g/mol. Its IUPAC name is [4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-cyclobutylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-cyclobutylmethanone;hydrochloride
PubChem CID120807372
Molecular FormulaC15H26ClN3O2S
Molecular Weight347.91 g/mol
Exact Mass347.14
IUPAC Name[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-cyclobutylmethanone;hydrochloride
SMILESCC1(CN)CCN(C(=O)C2CSCN2C(=O)C2CCC2)C1.Cl
InChIInChI=1S/C15H25N3O2S.ClH/c1-15(8-16)5-6-17(9-15)14(20)12-7-21-10-18(12)13(19)11-3-2-4-11;/h11-12H,2-10,16H2,1H3;1H
InChIKeyXNPCDKHOTMNRMI-UHFFFAOYSA-N
XLogP1.31
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.91
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-cyclobutylmethanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one
CID 120809895
1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 120803886
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]-2-methylbutan-1-one
CID 120806437
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-cyclopentylmethanone
CID 120806071
cyclohexyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone
CID 42744639
[4-(4-aminopiperidine-1-carbonyl)-1,3-thiazolidin-3-yl]-cyclopentylmethanone;hydrochloride
CID 119374240
cyclopropyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone
CID 42745619
cyclopentyl-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidin-3-yl]methanone
CID 71935072
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,4-dithian-2-yl)methanone
CID 120808563
[(4R)-4-[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carbonyl]-1,3-thiazolidin-3-yl]-cyclobutylmethanone
CID 124801732
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride
CID 120805422

Frequently Asked Questions

What is the IUPAC name of [4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-cyclobutylmethanone;hydrochloride?
The IUPAC name of [4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-cyclobutylmethanone;hydrochloride (CID 120807372) is [4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-cyclobutylmethanone;hydrochloride.
What is the SMILES notation for [4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-cyclobutylmethanone;hydrochloride?
The canonical SMILES for [4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-cyclobutylmethanone;hydrochloride is CC1(CN)CCN(C(=O)C2CSCN2C(=O)C2CCC2)C1.Cl.
What is the InChIKey of [4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-cyclobutylmethanone;hydrochloride?
The InChIKey is XNPCDKHOTMNRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S.ClH/c1-15(8-16)5-6-17(9-15)14(20)12-7-21-10-18(12)13(19)11-3-2-4-11;/h11-12H,2-10,16H2,1H3;1H.
What are the key properties of [4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-cyclobutylmethanone;hydrochloride?
[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-cyclobutylmethanone;hydrochloride has a molecular weight of 347.91 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-cyclobutylmethanone;hydrochloride is sourced from PubChem (CID 120807372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).