[(5R)-2-(2-methyl-6-propan-2-ylphenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine

C14H22N2O2S — CID 125052761

IUPAC[(5R)-2-(2-methyl-6-propan-2-ylphenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine
SMILESCc1cccc(C(C)C)c1N1CC[C@H](CN)S1(=O)=O
InChIInChI=1S/C14H22N2O2S/c1-10(2)13-6-4-5-11(3)14(13)16-8-7-12(9-15)19(16,17)18/h4-6,10,12H,7-9,15H2,1-3H3/t12-/m1/s1
InChIKeyIFXHXEJYWMKXHF-GFCCVEGCSA-N
MW282.41 g/mol
LogP1.99
Rot. Bonds3

About [(5R)-2-(2-methyl-6-propan-2-ylphenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine

[(5R)-2-(2-methyl-6-propan-2-ylphenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine (PubChem CID 125052761) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is [(5R)-2-(2-methyl-6-propan-2-ylphenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine.

Molecular Properties

Compound Name[(5R)-2-(2-methyl-6-propan-2-ylphenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine
PubChem CID125052761
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name[(5R)-2-(2-methyl-6-propan-2-ylphenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine
SMILESCc1cccc(C(C)C)c1N1CC[C@H](CN)S1(=O)=O
InChIInChI=1S/C14H22N2O2S/c1-10(2)13-6-4-5-11(3)14(13)16-8-7-12(9-15)19(16,17)18/h4-6,10,12H,7-9,15H2,1-3H3/t12-/m1/s1
InChIKeyIFXHXEJYWMKXHF-GFCCVEGCSA-N
XLogP1.99
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(5R)-2-(2-methyl-6-propan-2-ylphenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine 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-(2-methyl-6-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine
CID 117003430
2-methyl-1-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]propan-1-one
CID 113076400
1,4,7-tris[2,6-di(propan-2-yl)phenyl]-1,4,7-triazonane
CID 20681040
(1,7-dimethyl-2,3-dihydroindol-3-yl)methanamine
CID 82276793
2-(2-methyl-6-propan-2-ylanilino)-1-pyrrolidin-1-ylethanone
CID 108993428
CID 177402644
CID 177402644
[(5R)-2-[(3-methoxyphenyl)methyl]-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine
CID 125054106
3-methyl-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid
CID 117013204
N-[2-(4-methoxyphenyl)ethyl]-4-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113109567
2-methyl-6-propan-2-ylaniline
CID 162117439
(2-propan-2-ylphenyl)methanamine
CID 15040708
3-(2,6-dimethylphenyl)-4-[2,6-di(propan-2-yl)phenyl]-5-phenyl-1,2,4-triazole
CID 90190715

Frequently Asked Questions

What is the IUPAC name of [(5R)-2-(2-methyl-6-propan-2-ylphenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine?
The IUPAC name of [(5R)-2-(2-methyl-6-propan-2-ylphenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine (CID 125052761) is [(5R)-2-(2-methyl-6-propan-2-ylphenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine.
What is the SMILES notation for [(5R)-2-(2-methyl-6-propan-2-ylphenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine?
The canonical SMILES for [(5R)-2-(2-methyl-6-propan-2-ylphenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine is Cc1cccc(C(C)C)c1N1CC[C@H](CN)S1(=O)=O.
What is the InChIKey of [(5R)-2-(2-methyl-6-propan-2-ylphenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine?
The InChIKey is IFXHXEJYWMKXHF-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10(2)13-6-4-5-11(3)14(13)16-8-7-12(9-15)19(16,17)18/h4-6,10,12H,7-9,15H2,1-3H3/t12-/m1/s1.
What are the key properties of [(5R)-2-(2-methyl-6-propan-2-ylphenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine?
[(5R)-2-(2-methyl-6-propan-2-ylphenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine has a molecular weight of 282.41 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-2-(2-methyl-6-propan-2-ylphenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine is sourced from PubChem (CID 125052761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).