2-propan-2-yl-3-(propylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid

C10H20N2O4S2 — CID 114806191

IUPAC2-propan-2-yl-3-(propylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCCNS(=O)(=O)N1C(C(=O)O)CSC1C(C)C
InChIInChI=1S/C10H20N2O4S2/c1-4-5-11-18(15,16)12-8(10(13)14)6-17-9(12)7(2)3/h7-9,11H,4-6H2,1-3H3,(H,13,14)
InChIKeyZDZKMHHDYFBSEY-UHFFFAOYSA-N
MW296.41 g/mol
LogP0.71
Rot. Bonds6

About 2-propan-2-yl-3-(propylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid

2-propan-2-yl-3-(propylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 114806191) has the molecular formula C10H20N2O4S2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-propan-2-yl-3-(propylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-propan-2-yl-3-(propylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID114806191
Molecular FormulaC10H20N2O4S2
Molecular Weight296.41 g/mol
Exact Mass296.09
IUPAC Name2-propan-2-yl-3-(propylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCCNS(=O)(=O)N1C(C(=O)O)CSC1C(C)C
InChIInChI=1S/C10H20N2O4S2/c1-4-5-11-18(15,16)12-8(10(13)14)6-17-9(12)7(2)3/h7-9,11H,4-6H2,1-3H3,(H,13,14)
InChIKeyZDZKMHHDYFBSEY-UHFFFAOYSA-N
XLogP0.71
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethylsulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63779402
3-(difluoromethylsulfonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780281
2-ethyl-3-(2-methoxyethylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 114814607
2-propan-2-yl-3-[propan-2-yl(propyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781596
3-(3-methylphenyl)sulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780634
3-[2-(ethylamino)-2-methylpropanoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 55235898
3-methoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63781303
2-propan-2-yl-3-(1H-pyrazol-4-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55235148
3-[4-(methylamino)butanoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 55235899
3-(cyclopropylmethylcarbamoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63792580
3-(3-aminopropylcarbamoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 55236303
3-[methyl(propan-2-yl)sulfamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63779570

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3-(propylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-propan-2-yl-3-(propylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 114806191) is 2-propan-2-yl-3-(propylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-propan-2-yl-3-(propylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-propan-2-yl-3-(propylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid is CCCNS(=O)(=O)N1C(C(=O)O)CSC1C(C)C.
What is the InChIKey of 2-propan-2-yl-3-(propylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ZDZKMHHDYFBSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S2/c1-4-5-11-18(15,16)12-8(10(13)14)6-17-9(12)7(2)3/h7-9,11H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 2-propan-2-yl-3-(propylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid?
2-propan-2-yl-3-(propylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3-(propylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 114806191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).