1-(1,3,4-thiadiazol-2-ylsulfamoyl)piperidine-3-carboxylic acid

C8H12N4O4S2 — CID 60859075

IUPAC1-(1,3,4-thiadiazol-2-ylsulfamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)Nc2nncs2)C1
InChIInChI=1S/C8H12N4O4S2/c13-7(14)6-2-1-3-12(4-6)18(15,16)11-8-10-9-5-17-8/h5-6H,1-4H2,(H,10,11)(H,13,14)
InChIKeyRIBGIVZNKHGRME-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.01
Rot. Bonds4

About 1-(1,3,4-thiadiazol-2-ylsulfamoyl)piperidine-3-carboxylic acid

1-(1,3,4-thiadiazol-2-ylsulfamoyl)piperidine-3-carboxylic acid (PubChem CID 60859075) has the molecular formula C8H12N4O4S2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-(1,3,4-thiadiazol-2-ylsulfamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1,3,4-thiadiazol-2-ylsulfamoyl)piperidine-3-carboxylic acid
PubChem CID60859075
Molecular FormulaC8H12N4O4S2
Molecular Weight292.34 g/mol
Exact Mass292.03
IUPAC Name1-(1,3,4-thiadiazol-2-ylsulfamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)Nc2nncs2)C1
InChIInChI=1S/C8H12N4O4S2/c13-7(14)6-2-1-3-12(4-6)18(15,16)11-8-10-9-5-17-8/h5-6H,1-4H2,(H,10,11)(H,13,14)
InChIKeyRIBGIVZNKHGRME-UHFFFAOYSA-N
XLogP-0.01
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]piperidine-3-carboxylic acid
CID 60859714
1-[(2,6-dichlorophenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60857772
1-[(2,6-difluorophenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60859885
1-(dimethylaminosulfamoyl)piperidine-3-carboxylic acid
CID 83003975
1-[(5-bromo-2-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60858588
1-[(5-fluoro-2-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid
CID 65482248
1-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]piperidine-3-carboxylic acid
CID 116786481
1-[(3-fluoro-4-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid
CID 107594803
1-[(2,3-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60859380
1-[(2,5-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60858070
1-[(2-chloro-5-fluorophenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 107526936
(3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid
CID 28784068

Frequently Asked Questions

What is the IUPAC name of 1-(1,3,4-thiadiazol-2-ylsulfamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(1,3,4-thiadiazol-2-ylsulfamoyl)piperidine-3-carboxylic acid (CID 60859075) is 1-(1,3,4-thiadiazol-2-ylsulfamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1,3,4-thiadiazol-2-ylsulfamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(1,3,4-thiadiazol-2-ylsulfamoyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(S(=O)(=O)Nc2nncs2)C1.
What is the InChIKey of 1-(1,3,4-thiadiazol-2-ylsulfamoyl)piperidine-3-carboxylic acid?
The InChIKey is RIBGIVZNKHGRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O4S2/c13-7(14)6-2-1-3-12(4-6)18(15,16)11-8-10-9-5-17-8/h5-6H,1-4H2,(H,10,11)(H,13,14).
What are the key properties of 1-(1,3,4-thiadiazol-2-ylsulfamoyl)piperidine-3-carboxylic acid?
1-(1,3,4-thiadiazol-2-ylsulfamoyl)piperidine-3-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,4-thiadiazol-2-ylsulfamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 60859075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).