1-(1,3-thiazol-2-ylmethylsulfamoyl)piperidine-4-carboxylic acid

C10H15N3O4S2 — CID 61283284

IUPAC1-(1,3-thiazol-2-ylmethylsulfamoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)NCc2nccs2)CC1
InChIInChI=1S/C10H15N3O4S2/c14-10(15)8-1-4-13(5-2-8)19(16,17)12-7-9-11-3-6-18-9/h3,6,8,12H,1-2,4-5,7H2,(H,14,15)
InChIKeyCUTADGSXDYQIIG-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.27
Rot. Bonds5

About 1-(1,3-thiazol-2-ylmethylsulfamoyl)piperidine-4-carboxylic acid

1-(1,3-thiazol-2-ylmethylsulfamoyl)piperidine-4-carboxylic acid (PubChem CID 61283284) has the molecular formula C10H15N3O4S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-ylmethylsulfamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-thiazol-2-ylmethylsulfamoyl)piperidine-4-carboxylic acid
PubChem CID61283284
Molecular FormulaC10H15N3O4S2
Molecular Weight305.38 g/mol
Exact Mass305.05
IUPAC Name1-(1,3-thiazol-2-ylmethylsulfamoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)NCc2nccs2)CC1
InChIInChI=1S/C10H15N3O4S2/c14-10(15)8-1-4-13(5-2-8)19(16,17)12-7-9-11-3-6-18-9/h3,6,8,12H,1-2,4-5,7H2,(H,14,15)
InChIKeyCUTADGSXDYQIIG-UHFFFAOYSA-N
XLogP0.27
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-ylmethylsulfamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(1,3-thiazol-2-ylmethylsulfamoyl)piperidine-4-carboxylic acid (CID 61283284) is 1-(1,3-thiazol-2-ylmethylsulfamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1,3-thiazol-2-ylmethylsulfamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(1,3-thiazol-2-ylmethylsulfamoyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(S(=O)(=O)NCc2nccs2)CC1.
What is the InChIKey of 1-(1,3-thiazol-2-ylmethylsulfamoyl)piperidine-4-carboxylic acid?
The InChIKey is CUTADGSXDYQIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S2/c14-10(15)8-1-4-13(5-2-8)19(16,17)12-7-9-11-3-6-18-9/h3,6,8,12H,1-2,4-5,7H2,(H,14,15).
What are the key properties of 1-(1,3-thiazol-2-ylmethylsulfamoyl)piperidine-4-carboxylic acid?
1-(1,3-thiazol-2-ylmethylsulfamoyl)piperidine-4-carboxylic acid has a molecular weight of 305.38 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-ylmethylsulfamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 61283284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).