2-methyl-3-(2-methylsulfinylpropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

C10H18N2O4S2 — CID 113484412

IUPAC2-methyl-3-(2-methylsulfinylpropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)NCC(C)S(C)=O
InChIInChI=1S/C10H18N2O4S2/c1-6(18(3)16)4-11-10(15)12-7(2)17-5-8(12)9(13)14/h6-8H,4-5H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyJGNVABJSWUOYQC-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.31
Rot. Bonds4

About 2-methyl-3-(2-methylsulfinylpropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

2-methyl-3-(2-methylsulfinylpropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 113484412) has the molecular formula C10H18N2O4S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-methyl-3-(2-methylsulfinylpropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(2-methylsulfinylpropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID113484412
Molecular FormulaC10H18N2O4S2
Molecular Weight294.40 g/mol
Exact Mass294.07
IUPAC Name2-methyl-3-(2-methylsulfinylpropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)NCC(C)S(C)=O
InChIInChI=1S/C10H18N2O4S2/c1-6(18(3)16)4-11-10(15)12-7(2)17-5-8(12)9(13)14/h6-8H,4-5H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyJGNVABJSWUOYQC-UHFFFAOYSA-N
XLogP0.31
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-(2-methylsulfinylpropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid 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

2-methyl-3-(3-methylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 55235905
3-[2-(dimethylamino)ethylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63792064
3-[[2-(ethylamino)-2-oxoethyl]carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63781441
2-methyl-3-[[3-(methylamino)-3-oxopropyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781178
3-(3-ethylpentan-2-ylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63843748
3-(1-cyclopropylpropan-2-ylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63995740
2-methyl-3-(pent-3-ynylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 116644735
2-cyclopropyl-3-(2-methylpropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792054
2-methyl-3-[2-(methylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63792869
3-(2,3-dimethylbutylcarbamoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 64597399
2-methyl-3-(1-methylsulfonylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 64642077
3-(3-ethylpentan-3-ylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 65042791

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylsulfinylpropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-methyl-3-(2-methylsulfinylpropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 113484412) is 2-methyl-3-(2-methylsulfinylpropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(2-methylsulfinylpropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-(2-methylsulfinylpropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1C(=O)NCC(C)S(C)=O.
What is the InChIKey of 2-methyl-3-(2-methylsulfinylpropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is JGNVABJSWUOYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S2/c1-6(18(3)16)4-11-10(15)12-7(2)17-5-8(12)9(13)14/h6-8H,4-5H2,1-3H3,(H,11,15)(H,13,14).
What are the key properties of 2-methyl-3-(2-methylsulfinylpropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
2-methyl-3-(2-methylsulfinylpropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 294.40 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylsulfinylpropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 113484412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).