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

C12H19N3O4S2 — CID 63242353

IUPAC1-[2-(4-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]piperidine-3-carboxylic acid
SMILESCc1csc(CCNS(=O)(=O)N2CCCC(C(=O)O)C2)n1
InChIInChI=1S/C12H19N3O4S2/c1-9-8-20-11(14-9)4-5-13-21(18,19)15-6-2-3-10(7-15)12(16)17/h8,10,13H,2-7H2,1H3,(H,16,17)
InChIKeyDCSRAFLROADNCB-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.63
Rot. Bonds6

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

1-[2-(4-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]piperidine-3-carboxylic acid (PubChem CID 63242353) has the molecular formula C12H19N3O4S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-[2-(4-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]piperidine-3-carboxylic acid
PubChem CID63242353
Molecular FormulaC12H19N3O4S2
Molecular Weight333.44 g/mol
Exact Mass333.08
IUPAC Name1-[2-(4-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]piperidine-3-carboxylic acid
SMILESCc1csc(CCNS(=O)(=O)N2CCCC(C(=O)O)C2)n1
InChIInChI=1S/C12H19N3O4S2/c1-9-8-20-11(14-9)4-5-13-21(18,19)15-6-2-3-10(7-15)12(16)17/h8,10,13H,2-7H2,1H3,(H,16,17)
InChIKeyDCSRAFLROADNCB-UHFFFAOYSA-N
XLogP0.63
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]piperidine-3-carboxylic acid (CID 63242353) is 1-[2-(4-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]piperidine-3-carboxylic acid is Cc1csc(CCNS(=O)(=O)N2CCCC(C(=O)O)C2)n1.
What is the InChIKey of 1-[2-(4-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is DCSRAFLROADNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S2/c1-9-8-20-11(14-9)4-5-13-21(18,19)15-6-2-3-10(7-15)12(16)17/h8,10,13H,2-7H2,1H3,(H,16,17).
What are the key properties of 1-[2-(4-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]piperidine-3-carboxylic acid?
1-[2-(4-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]piperidine-3-carboxylic acid has a molecular weight of 333.44 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 63242353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).