2-propyl-3-sulfamoyl-1,3-thiazolidine-4-carboxylic acid

C7H14N2O4S2 — CID 114958890

IUPAC2-propyl-3-sulfamoyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1S(N)(=O)=O
InChIInChI=1S/C7H14N2O4S2/c1-2-3-6-9(15(8,12)13)5(4-14-6)7(10)11/h5-6H,2-4H2,1H3,(H,10,11)(H2,8,12,13)
InChIKeyPNGVZTOSEBMOBC-UHFFFAOYSA-N
MW254.33 g/mol
LogP-0.18
Rot. Bonds4

About 2-propyl-3-sulfamoyl-1,3-thiazolidine-4-carboxylic acid

2-propyl-3-sulfamoyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 114958890) has the molecular formula C7H14N2O4S2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-propyl-3-sulfamoyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-propyl-3-sulfamoyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID114958890
Molecular FormulaC7H14N2O4S2
Molecular Weight254.33 g/mol
Exact Mass254.04
IUPAC Name2-propyl-3-sulfamoyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1S(N)(=O)=O
InChIInChI=1S/C7H14N2O4S2/c1-2-3-6-9(15(8,12)13)5(4-14-6)7(10)11/h5-6H,2-4H2,1H3,(H,10,11)(H2,8,12,13)
InChIKeyPNGVZTOSEBMOBC-UHFFFAOYSA-N
XLogP-0.18
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-propyl-3-(trifluoromethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63779390
3-prop-2-enylsulfonyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 79673383
3-[methyl(propan-2-yl)sulfamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63779570
3-(5-methylthiophen-2-yl)sulfonyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63780623
3-(1-methylpyrrol-3-yl)sulfonyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63780089
2-ethyl-3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 63781857
3-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 103414252
3-(difluoromethylsulfonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63779729
3-[(2S)-2-aminopropanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63790612
2-cyclopropyl-3-sulfamoyl-1,3-thiazolidine-4-carboxylic acid
CID 114958892
3-(3-phenylmethoxypropylsulfonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 114286011
3-[(2S)-2-amino-3-methylbutanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 55235516

Frequently Asked Questions

What is the IUPAC name of 2-propyl-3-sulfamoyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-propyl-3-sulfamoyl-1,3-thiazolidine-4-carboxylic acid (CID 114958890) is 2-propyl-3-sulfamoyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-propyl-3-sulfamoyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-propyl-3-sulfamoyl-1,3-thiazolidine-4-carboxylic acid is CCCC1SCC(C(=O)O)N1S(N)(=O)=O.
What is the InChIKey of 2-propyl-3-sulfamoyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is PNGVZTOSEBMOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4S2/c1-2-3-6-9(15(8,12)13)5(4-14-6)7(10)11/h5-6H,2-4H2,1H3,(H,10,11)(H2,8,12,13).
What are the key properties of 2-propyl-3-sulfamoyl-1,3-thiazolidine-4-carboxylic acid?
2-propyl-3-sulfamoyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-3-sulfamoyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 114958890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).