1-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]piperidine-4-carboxylic acid

C12H20N4O4S — CID 60859244

IUPAC1-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCc1nn(C)c(C)c1NS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H20N4O4S/c1-8-11(9(2)15(3)13-8)14-21(19,20)16-6-4-10(5-7-16)12(17)18/h10,14H,4-7H2,1-3H3,(H,17,18)
InChIKeyQEOSOHQDOWMKAZ-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.49
Rot. Bonds4

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

1-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]piperidine-4-carboxylic acid (PubChem CID 60859244) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is 1-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]piperidine-4-carboxylic acid
PubChem CID60859244
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC Name1-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCc1nn(C)c(C)c1NS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H20N4O4S/c1-8-11(9(2)15(3)13-8)14-21(19,20)16-6-4-10(5-7-16)12(17)18/h10,14H,4-7H2,1-3H3,(H,17,18)
InChIKeyQEOSOHQDOWMKAZ-UHFFFAOYSA-N
XLogP0.49
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]piperidine-4-carboxylic acid (CID 60859244) is 1-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]piperidine-4-carboxylic acid is Cc1nn(C)c(C)c1NS(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is QEOSOHQDOWMKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-8-11(9(2)15(3)13-8)14-21(19,20)16-6-4-10(5-7-16)12(17)18/h10,14H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 1-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]piperidine-4-carboxylic acid?
1-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 316.38 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 60859244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).