5-[[(1R)-1-cyclopentylethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid

C11H16N2O4S2 — CID 113392095

IUPAC5-[[(1R)-1-cyclopentylethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid
SMILESC[C@@H](NS(=O)(=O)c1scnc1C(=O)O)C1CCCC1
InChIInChI=1S/C11H16N2O4S2/c1-7(8-4-2-3-5-8)13-19(16,17)11-9(10(14)15)12-6-18-11/h6-8,13H,2-5H2,1H3,(H,14,15)/t7-/m1/s1
InChIKeyDZVOCQNSAVAZJQ-SSDOTTSWSA-N
MW304.39 g/mol
LogP1.70
Rot. Bonds5

About 5-[[(1R)-1-cyclopentylethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid

5-[[(1R)-1-cyclopentylethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 113392095) has the molecular formula C11H16N2O4S2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 5-[[(1R)-1-cyclopentylethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[(1R)-1-cyclopentylethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID113392095
Molecular FormulaC11H16N2O4S2
Molecular Weight304.39 g/mol
Exact Mass304.06
IUPAC Name5-[[(1R)-1-cyclopentylethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid
SMILESC[C@@H](NS(=O)(=O)c1scnc1C(=O)O)C1CCCC1
InChIInChI=1S/C11H16N2O4S2/c1-7(8-4-2-3-5-8)13-19(16,17)11-9(10(14)15)12-6-18-11/h6-8,13H,2-5H2,1H3,(H,14,15)/t7-/m1/s1
InChIKeyDZVOCQNSAVAZJQ-SSDOTTSWSA-N
XLogP1.70
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1R)-1-cyclopentylethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[[(1R)-1-cyclopentylethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid (CID 113392095) is 5-[[(1R)-1-cyclopentylethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[[(1R)-1-cyclopentylethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[[(1R)-1-cyclopentylethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid is C[C@@H](NS(=O)(=O)c1scnc1C(=O)O)C1CCCC1.
What is the InChIKey of 5-[[(1R)-1-cyclopentylethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is DZVOCQNSAVAZJQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H16N2O4S2/c1-7(8-4-2-3-5-8)13-19(16,17)11-9(10(14)15)12-6-18-11/h6-8,13H,2-5H2,1H3,(H,14,15)/t7-/m1/s1.
What are the key properties of 5-[[(1R)-1-cyclopentylethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid?
5-[[(1R)-1-cyclopentylethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 304.39 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R)-1-cyclopentylethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 113392095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).