3-(1-oxo-1,4-thiazinane-4-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid

C12H20N2O4S2 — CID 63781851

IUPAC3-(1-oxo-1,4-thiazinane-4-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)C1SCC(C(=O)O)N1C(=O)N1CCS(=O)CC1
InChIInChI=1S/C12H20N2O4S2/c1-8(2)10-14(9(7-19-10)11(15)16)12(17)13-3-5-20(18)6-4-13/h8-10H,3-7H2,1-2H3,(H,15,16)
InChIKeyLLOIOVGPUJNPKG-UHFFFAOYSA-N
MW320.44 g/mol
LogP0.65
Rot. Bonds2

About 3-(1-oxo-1,4-thiazinane-4-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid

3-(1-oxo-1,4-thiazinane-4-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63781851) has the molecular formula C12H20N2O4S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-(1-oxo-1,4-thiazinane-4-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(1-oxo-1,4-thiazinane-4-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63781851
Molecular FormulaC12H20N2O4S2
Molecular Weight320.44 g/mol
Exact Mass320.09
IUPAC Name3-(1-oxo-1,4-thiazinane-4-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)C1SCC(C(=O)O)N1C(=O)N1CCS(=O)CC1
InChIInChI=1S/C12H20N2O4S2/c1-8(2)10-14(9(7-19-10)11(15)16)12(17)13-3-5-20(18)6-4-13/h8-10H,3-7H2,1-2H3,(H,15,16)
InChIKeyLLOIOVGPUJNPKG-UHFFFAOYSA-N
XLogP0.65
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1-oxo-1,4-thiazinane-4-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid with MolForge

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Related Compounds

3-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 103357144
3-methoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63781303
3-[2-(hydroxymethyl)morpholine-4-carbonyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 81194262
3-(2-ethylpyrrolidine-1-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780737
3-(2-methyl-3-oxopiperazine-1-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63774708
3-[4-(methylamino)butanoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 55235899
3-[(E)-4-aminobut-2-enoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 112746829
3-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63782094
3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780792
3-(3-amino-2,2-dimethylpropanoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 113307662
2-propan-2-yl-3-[propan-2-yl(propyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781596
3-(dicyclopropylmethylcarbamoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780949

Frequently Asked Questions

What is the IUPAC name of 3-(1-oxo-1,4-thiazinane-4-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(1-oxo-1,4-thiazinane-4-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (CID 63781851) is 3-(1-oxo-1,4-thiazinane-4-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(1-oxo-1,4-thiazinane-4-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(1-oxo-1,4-thiazinane-4-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is CC(C)C1SCC(C(=O)O)N1C(=O)N1CCS(=O)CC1.
What is the InChIKey of 3-(1-oxo-1,4-thiazinane-4-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is LLOIOVGPUJNPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S2/c1-8(2)10-14(9(7-19-10)11(15)16)12(17)13-3-5-20(18)6-4-13/h8-10H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 3-(1-oxo-1,4-thiazinane-4-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
3-(1-oxo-1,4-thiazinane-4-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 320.44 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-oxo-1,4-thiazinane-4-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63781851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).