1-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid

C11H17N3O4S2 — CID 61043111

IUPAC1-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid
SMILESCc1csc(CNS(=O)(=O)N2CCCC(C(=O)O)C2)n1
InChIInChI=1S/C11H17N3O4S2/c1-8-7-19-10(13-8)5-12-20(17,18)14-4-2-3-9(6-14)11(15)16/h7,9,12H,2-6H2,1H3,(H,15,16)
InChIKeyIIFUTBAUSAGEIB-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.58
Rot. Bonds5

About 1-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid

1-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid (PubChem CID 61043111) has the molecular formula C11H17N3O4S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid
PubChem CID61043111
Molecular FormulaC11H17N3O4S2
Molecular Weight319.41 g/mol
Exact Mass319.07
IUPAC Name1-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid
SMILESCc1csc(CNS(=O)(=O)N2CCCC(C(=O)O)C2)n1
InChIInChI=1S/C11H17N3O4S2/c1-8-7-19-10(13-8)5-12-20(17,18)14-4-2-3-9(6-14)11(15)16/h7,9,12H,2-6H2,1H3,(H,15,16)
InChIKeyIIFUTBAUSAGEIB-UHFFFAOYSA-N
XLogP0.58
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid (CID 61043111) is 1-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid is Cc1csc(CNS(=O)(=O)N2CCCC(C(=O)O)C2)n1.
What is the InChIKey of 1-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is IIFUTBAUSAGEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S2/c1-8-7-19-10(13-8)5-12-20(17,18)14-4-2-3-9(6-14)11(15)16/h7,9,12H,2-6H2,1H3,(H,15,16).
What are the key properties of 1-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid?
1-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid has a molecular weight of 319.41 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 61043111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).