5-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid

C11H17N3O4S2 — CID 114503116

IUPAC5-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCC1CN(C)CCC1NS(=O)(=O)c1scnc1C(=O)O
InChIInChI=1S/C11H17N3O4S2/c1-7-5-14(2)4-3-8(7)13-20(17,18)11-9(10(15)16)12-6-19-11/h6-8,13H,3-5H2,1-2H3,(H,15,16)
InChIKeyHQXJZOYIAARINQ-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.46
Rot. Bonds4

About 5-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid

5-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 114503116) has the molecular formula C11H17N3O4S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 5-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID114503116
Molecular FormulaC11H17N3O4S2
Molecular Weight319.41 g/mol
Exact Mass319.07
IUPAC Name5-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCC1CN(C)CCC1NS(=O)(=O)c1scnc1C(=O)O
InChIInChI=1S/C11H17N3O4S2/c1-7-5-14(2)4-3-8(7)13-20(17,18)11-9(10(15)16)12-6-19-11/h6-8,13H,3-5H2,1-2H3,(H,15,16)
InChIKeyHQXJZOYIAARINQ-UHFFFAOYSA-N
XLogP0.46
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 114503126
5-bromo-4-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid
CID 114503127
2-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]acetic acid
CID 114503113
5-[[(1R)-1-cyclopentylethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 113392095
5-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide
CID 114614758
2-bromo-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide
CID 113228817
3-[(1,3-dimethylpiperidin-4-yl)amino]pyridine-2-carboxylic acid
CID 114506019
N-(1,3-dimethylpiperidin-4-yl)-2-hydrazinylpyridine-4-sulfonamide
CID 114504913
methyl 5-[(2-methylsulfanylcyclopentyl)sulfamoyl]-1,3-thiazole-4-carboxylate
CID 104773053
methyl 5-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-1,3-thiazole-4-carboxylate
CID 120875277
N-(1,3-dimethylpiperidin-4-yl)-2-(ethylamino)pyridine-4-sulfonamide
CID 114505908
5-[3-(hydroxymethyl)azetidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylic acid
CID 107215906

Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid (CID 114503116) is 5-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid is CC1CN(C)CCC1NS(=O)(=O)c1scnc1C(=O)O.
What is the InChIKey of 5-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is HQXJZOYIAARINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S2/c1-7-5-14(2)4-3-8(7)13-20(17,18)11-9(10(15)16)12-6-19-11/h6-8,13H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 5-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid?
5-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 319.41 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 114503116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).