1-methyl-4-[(6-oxopiperidin-3-yl)sulfamoyl]pyrrole-2-carboxylic acid

C11H15N3O5S — CID 63663509

IUPAC1-methyl-4-[(6-oxopiperidin-3-yl)sulfamoyl]pyrrole-2-carboxylic acid
SMILESCn1cc(S(=O)(=O)NC2CCC(=O)NC2)cc1C(=O)O
InChIInChI=1S/C11H15N3O5S/c1-14-6-8(4-9(14)11(16)17)20(18,19)13-7-2-3-10(15)12-5-7/h4,6-7,13H,2-3,5H2,1H3,(H,12,15)(H,16,17)
InChIKeyBZISEZSQNRMVEU-UHFFFAOYSA-N
MW301.32 g/mol
LogP-0.72
Rot. Bonds4

About 1-methyl-4-[(6-oxopiperidin-3-yl)sulfamoyl]pyrrole-2-carboxylic acid

1-methyl-4-[(6-oxopiperidin-3-yl)sulfamoyl]pyrrole-2-carboxylic acid (PubChem CID 63663509) has the molecular formula C11H15N3O5S and a molecular weight of 301.32 g/mol. Its IUPAC name is 1-methyl-4-[(6-oxopiperidin-3-yl)sulfamoyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-[(6-oxopiperidin-3-yl)sulfamoyl]pyrrole-2-carboxylic acid
PubChem CID63663509
Molecular FormulaC11H15N3O5S
Molecular Weight301.32 g/mol
Exact Mass301.07
IUPAC Name1-methyl-4-[(6-oxopiperidin-3-yl)sulfamoyl]pyrrole-2-carboxylic acid
SMILESCn1cc(S(=O)(=O)NC2CCC(=O)NC2)cc1C(=O)O
InChIInChI=1S/C11H15N3O5S/c1-14-6-8(4-9(14)11(16)17)20(18,19)13-7-2-3-10(15)12-5-7/h4,6-7,13H,2-3,5H2,1H3,(H,12,15)(H,16,17)
InChIKeyBZISEZSQNRMVEU-UHFFFAOYSA-N
XLogP-0.72
TPSA117.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(6-oxopiperidin-3-yl)sulfamoyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-methyl-4-[(6-oxopiperidin-3-yl)sulfamoyl]pyrrole-2-carboxylic acid (CID 63663509) is 1-methyl-4-[(6-oxopiperidin-3-yl)sulfamoyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-methyl-4-[(6-oxopiperidin-3-yl)sulfamoyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-methyl-4-[(6-oxopiperidin-3-yl)sulfamoyl]pyrrole-2-carboxylic acid is Cn1cc(S(=O)(=O)NC2CCC(=O)NC2)cc1C(=O)O.
What is the InChIKey of 1-methyl-4-[(6-oxopiperidin-3-yl)sulfamoyl]pyrrole-2-carboxylic acid?
The InChIKey is BZISEZSQNRMVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5S/c1-14-6-8(4-9(14)11(16)17)20(18,19)13-7-2-3-10(15)12-5-7/h4,6-7,13H,2-3,5H2,1H3,(H,12,15)(H,16,17).
What are the key properties of 1-methyl-4-[(6-oxopiperidin-3-yl)sulfamoyl]pyrrole-2-carboxylic acid?
1-methyl-4-[(6-oxopiperidin-3-yl)sulfamoyl]pyrrole-2-carboxylic acid has a molecular weight of 301.32 g/mol, XLogP of -0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(6-oxopiperidin-3-yl)sulfamoyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 63663509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).