1-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]piperidine-4-carboxylic acid

C12H20N4O4S — CID 107462266

IUPAC1-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCCc1nn(C)cc1NS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H20N4O4S/c1-3-10-11(8-15(2)13-10)14-21(19,20)16-6-4-9(5-7-16)12(17)18/h8-9,14H,3-7H2,1-2H3,(H,17,18)
InChIKeyVWBRMLQOUAXFSR-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.44
Rot. Bonds5

About 1-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]piperidine-4-carboxylic acid

1-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]piperidine-4-carboxylic acid (PubChem CID 107462266) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is 1-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]piperidine-4-carboxylic acid
PubChem CID107462266
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC Name1-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCCc1nn(C)cc1NS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H20N4O4S/c1-3-10-11(8-15(2)13-10)14-21(19,20)16-6-4-9(5-7-16)12(17)18/h8-9,14H,3-7H2,1-2H3,(H,17,18)
InChIKeyVWBRMLQOUAXFSR-UHFFFAOYSA-N
XLogP0.44
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]piperidine-4-carboxylic acid (CID 107462266) is 1-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]piperidine-4-carboxylic acid is CCc1nn(C)cc1NS(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is VWBRMLQOUAXFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-3-10-11(8-15(2)13-10)14-21(19,20)16-6-4-9(5-7-16)12(17)18/h8-9,14H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 1-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]piperidine-4-carboxylic acid?
1-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 316.38 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 107462266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).