1-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]piperidine-4-carboxylic acid

C10H16N4O4S2 — CID 107641504

IUPAC1-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCCc1nnc(NS(=O)(=O)N2CCC(C(=O)O)CC2)s1
InChIInChI=1S/C10H16N4O4S2/c1-2-8-11-12-10(19-8)13-20(17,18)14-5-3-7(4-6-14)9(15)16/h7H,2-6H2,1H3,(H,12,13)(H,15,16)
InChIKeyJQBQCQROALLIIP-UHFFFAOYSA-N
MW320.40 g/mol
LogP0.55
Rot. Bonds5

About 1-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]piperidine-4-carboxylic acid

1-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]piperidine-4-carboxylic acid (PubChem CID 107641504) has the molecular formula C10H16N4O4S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]piperidine-4-carboxylic acid
PubChem CID107641504
Molecular FormulaC10H16N4O4S2
Molecular Weight320.40 g/mol
Exact Mass320.06
IUPAC Name1-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCCc1nnc(NS(=O)(=O)N2CCC(C(=O)O)CC2)s1
InChIInChI=1S/C10H16N4O4S2/c1-2-8-11-12-10(19-8)13-20(17,18)14-5-3-7(4-6-14)9(15)16/h7H,2-6H2,1H3,(H,12,13)(H,15,16)
InChIKeyJQBQCQROALLIIP-UHFFFAOYSA-N
XLogP0.55
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(5-Amino-1,3,4-thiadiazol-2-yl)methyl]piperidine-4-carboxylic acid
CID 82058176
1-[2-(5-Amino-1,3,4-thiadiazol-2-yl)ethyl]piperidine-4-carboxylic acid
CID 82058190
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(hydroxymethyl)piperidine-1-sulfonamide
CID 106000058
3-[Methyl-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]amino]propanoic acid
CID 106260239
4-(hydroxymethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-1-sulfonamide
CID 106262618
1-[(5-Ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]piperidine-3-carboxylic acid
CID 107641533
1-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]piperidine-3-carboxylic acid
CID 116367757
1-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 116367759

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]piperidine-4-carboxylic acid (CID 107641504) is 1-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]piperidine-4-carboxylic acid is CCc1nnc(NS(=O)(=O)N2CCC(C(=O)O)CC2)s1.
What is the InChIKey of 1-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is JQBQCQROALLIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4S2/c1-2-8-11-12-10(19-8)13-20(17,18)14-5-3-7(4-6-14)9(15)16/h7H,2-6H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 1-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]piperidine-4-carboxylic acid?
1-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 320.40 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 107641504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).