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

C11H22N2O4S2 — CID 63781485

IUPAC3-(dipropylsulfamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCN(CCC)S(=O)(=O)N1C(C)SCC1C(=O)O
InChIInChI=1S/C11H22N2O4S2/c1-4-6-12(7-5-2)19(16,17)13-9(3)18-8-10(13)11(14)15/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKeyWADOBHCVQPSAOD-UHFFFAOYSA-N
MW310.44 g/mol
LogP1.20
Rot. Bonds7

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

3-(dipropylsulfamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63781485) has the molecular formula C11H22N2O4S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-(dipropylsulfamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(dipropylsulfamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63781485
Molecular FormulaC11H22N2O4S2
Molecular Weight310.44 g/mol
Exact Mass310.10
IUPAC Name3-(dipropylsulfamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCN(CCC)S(=O)(=O)N1C(C)SCC1C(=O)O
InChIInChI=1S/C11H22N2O4S2/c1-4-6-12(7-5-2)19(16,17)13-9(3)18-8-10(13)11(14)15/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKeyWADOBHCVQPSAOD-UHFFFAOYSA-N
XLogP1.20
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[benzyl(methyl)sulfamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63782020
3-(difluoromethylsulfonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63781667
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63779350
3-(3-methoxy-3-oxopropyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63779888
3-(2-ethoxy-2-oxoethyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 55235723
2-methyl-3-morpholin-4-ylsulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 63780064
3-(2-methoxy-2-oxoethyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63780421
3-butanoyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63793196
3-[methyl(propan-2-yl)sulfamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63779570
2-ethyl-3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 63781857
2-propyl-3-sulfamoyl-1,3-thiazolidine-4-carboxylic acid
CID 114958890
(2S)-1-(dipropylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61143709

Frequently Asked Questions

What is the IUPAC name of 3-(dipropylsulfamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(dipropylsulfamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 63781485) is 3-(dipropylsulfamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(dipropylsulfamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(dipropylsulfamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid is CCCN(CCC)S(=O)(=O)N1C(C)SCC1C(=O)O.
What is the InChIKey of 3-(dipropylsulfamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is WADOBHCVQPSAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S2/c1-4-6-12(7-5-2)19(16,17)13-9(3)18-8-10(13)11(14)15/h9-10H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 3-(dipropylsulfamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
3-(dipropylsulfamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 310.44 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipropylsulfamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63781485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).