1-(methylsulfamoyl)piperidine-4-carboxylic acid

C7H14N2O4S — CID 60859532

IUPAC1-(methylsulfamoyl)piperidine-4-carboxylic acid
SMILESCNS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C7H14N2O4S/c1-8-14(12,13)9-4-2-6(3-5-9)7(10)11/h6,8H,2-5H2,1H3,(H,10,11)
InChIKeyXYUZAPACTQJECK-UHFFFAOYSA-N
MW222.27 g/mol
LogP-0.75
Rot. Bonds3

About 1-(methylsulfamoyl)piperidine-4-carboxylic acid

1-(methylsulfamoyl)piperidine-4-carboxylic acid (PubChem CID 60859532) has the molecular formula C7H14N2O4S and a molecular weight of 222.27 g/mol. Its IUPAC name is 1-(methylsulfamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(methylsulfamoyl)piperidine-4-carboxylic acid
PubChem CID60859532
Molecular FormulaC7H14N2O4S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Name1-(methylsulfamoyl)piperidine-4-carboxylic acid
SMILESCNS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C7H14N2O4S/c1-8-14(12,13)9-4-2-6(3-5-9)7(10)11/h6,8H,2-5H2,1H3,(H,10,11)
InChIKeyXYUZAPACTQJECK-UHFFFAOYSA-N
XLogP-0.75
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(methylsulfamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(methylsulfamoyl)piperidine-4-carboxylic acid (CID 60859532) is 1-(methylsulfamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(methylsulfamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(methylsulfamoyl)piperidine-4-carboxylic acid is CNS(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(methylsulfamoyl)piperidine-4-carboxylic acid?
The InChIKey is XYUZAPACTQJECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4S/c1-8-14(12,13)9-4-2-6(3-5-9)7(10)11/h6,8H,2-5H2,1H3,(H,10,11).
What are the key properties of 1-(methylsulfamoyl)piperidine-4-carboxylic acid?
1-(methylsulfamoyl)piperidine-4-carboxylic acid has a molecular weight of 222.27 g/mol, XLogP of -0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 60859532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).