1-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid

C10H15N3O4S2 — CID 122051054

IUPAC1-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid
SMILESCc1nc(N2CCCC(C(=O)O)C2)sc1S(N)(=O)=O
InChIInChI=1S/C10H15N3O4S2/c1-6-9(19(11,16)17)18-10(12-6)13-4-2-3-7(5-13)8(14)15/h7H,2-5H2,1H3,(H,14,15)(H2,11,16,17)
InChIKeyPBALLYFURVNQQZ-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.40
Rot. Bonds3

About 1-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid

1-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid (PubChem CID 122051054) has the molecular formula C10H15N3O4S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid
PubChem CID122051054
Molecular FormulaC10H15N3O4S2
Molecular Weight305.38 g/mol
Exact Mass305.05
IUPAC Name1-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid
SMILESCc1nc(N2CCCC(C(=O)O)C2)sc1S(N)(=O)=O
InChIInChI=1S/C10H15N3O4S2/c1-6-9(19(11,16)17)18-10(12-6)13-4-2-3-7(5-13)8(14)15/h7H,2-5H2,1H3,(H,14,15)(H2,11,16,17)
InChIKeyPBALLYFURVNQQZ-UHFFFAOYSA-N
XLogP0.40
TPSA113.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid (CID 122051054) is 1-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid is Cc1nc(N2CCCC(C(=O)O)C2)sc1S(N)(=O)=O.
What is the InChIKey of 1-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid?
The InChIKey is PBALLYFURVNQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S2/c1-6-9(19(11,16)17)18-10(12-6)13-4-2-3-7(5-13)8(14)15/h7H,2-5H2,1H3,(H,14,15)(H2,11,16,17).
What are the key properties of 1-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid?
1-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid has a molecular weight of 305.38 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122051054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).