1-(pyrrol-1-ylsulfamoyl)piperidine-4-carboxylic acid

C10H15N3O4S — CID 79090367

IUPAC1-(pyrrol-1-ylsulfamoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)Nn2cccc2)CC1
InChIInChI=1S/C10H15N3O4S/c14-10(15)9-3-7-13(8-4-9)18(16,17)11-12-5-1-2-6-12/h1-2,5-6,9,11H,3-4,7-8H2,(H,14,15)
InChIKeyYJWLYXZJMNWCHX-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.07
Rot. Bonds4

About 1-(pyrrol-1-ylsulfamoyl)piperidine-4-carboxylic acid

1-(pyrrol-1-ylsulfamoyl)piperidine-4-carboxylic acid (PubChem CID 79090367) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-(pyrrol-1-ylsulfamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(pyrrol-1-ylsulfamoyl)piperidine-4-carboxylic acid
PubChem CID79090367
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name1-(pyrrol-1-ylsulfamoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)Nn2cccc2)CC1
InChIInChI=1S/C10H15N3O4S/c14-10(15)9-3-7-13(8-4-9)18(16,17)11-12-5-1-2-6-12/h1-2,5-6,9,11H,3-4,7-8H2,(H,14,15)
InChIKeyYJWLYXZJMNWCHX-UHFFFAOYSA-N
XLogP0.07
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(pyrrol-1-ylsulfamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(pyrrol-1-ylsulfamoyl)piperidine-4-carboxylic acid (CID 79090367) is 1-(pyrrol-1-ylsulfamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(pyrrol-1-ylsulfamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(pyrrol-1-ylsulfamoyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(S(=O)(=O)Nn2cccc2)CC1.
What is the InChIKey of 1-(pyrrol-1-ylsulfamoyl)piperidine-4-carboxylic acid?
The InChIKey is YJWLYXZJMNWCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c14-10(15)9-3-7-13(8-4-9)18(16,17)11-12-5-1-2-6-12/h1-2,5-6,9,11H,3-4,7-8H2,(H,14,15).
What are the key properties of 1-(pyrrol-1-ylsulfamoyl)piperidine-4-carboxylic acid?
1-(pyrrol-1-ylsulfamoyl)piperidine-4-carboxylic acid has a molecular weight of 273.31 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrol-1-ylsulfamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 79090367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).