5-[cyclopentylmethyl(methyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid

C11H16N2O4S2 — CID 113392037

IUPAC5-[cyclopentylmethyl(methyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCN(CC1CCCC1)S(=O)(=O)c1scnc1C(=O)O
InChIInChI=1S/C11H16N2O4S2/c1-13(6-8-4-2-3-5-8)19(16,17)11-9(10(14)15)12-7-18-11/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeyJSWGMGGLVXLFDG-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.65
Rot. Bonds5

About 5-[cyclopentylmethyl(methyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid

5-[cyclopentylmethyl(methyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 113392037) has the molecular formula C11H16N2O4S2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 5-[cyclopentylmethyl(methyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[cyclopentylmethyl(methyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID113392037
Molecular FormulaC11H16N2O4S2
Molecular Weight304.39 g/mol
Exact Mass304.06
IUPAC Name5-[cyclopentylmethyl(methyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCN(CC1CCCC1)S(=O)(=O)c1scnc1C(=O)O
InChIInChI=1S/C11H16N2O4S2/c1-13(6-8-4-2-3-5-8)19(16,17)11-9(10(14)15)12-7-18-11/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeyJSWGMGGLVXLFDG-UHFFFAOYSA-N
XLogP1.65
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[cyclopentylmethyl(methyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[cyclopentylmethyl(methyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid (CID 113392037) is 5-[cyclopentylmethyl(methyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[cyclopentylmethyl(methyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[cyclopentylmethyl(methyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid is CN(CC1CCCC1)S(=O)(=O)c1scnc1C(=O)O.
What is the InChIKey of 5-[cyclopentylmethyl(methyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is JSWGMGGLVXLFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S2/c1-13(6-8-4-2-3-5-8)19(16,17)11-9(10(14)15)12-7-18-11/h7-8H,2-6H2,1H3,(H,14,15).
What are the key properties of 5-[cyclopentylmethyl(methyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid?
5-[cyclopentylmethyl(methyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 304.39 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopentylmethyl(methyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 113392037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).