1-cyclopropyl-4-(piperidin-4-ylsulfamoyl)pyrrole-2-carboxylic acid

C13H19N3O4S — CID 61403195

IUPAC1-cyclopropyl-4-(piperidin-4-ylsulfamoyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NC2CCNCC2)cn1C1CC1
InChIInChI=1S/C13H19N3O4S/c17-13(18)12-7-11(8-16(12)10-1-2-10)21(19,20)15-9-3-5-14-6-4-9/h7-10,14-15H,1-6H2,(H,17,18)
InChIKeyCWKQNCITXVNMFH-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.55
Rot. Bonds5

About 1-cyclopropyl-4-(piperidin-4-ylsulfamoyl)pyrrole-2-carboxylic acid

1-cyclopropyl-4-(piperidin-4-ylsulfamoyl)pyrrole-2-carboxylic acid (PubChem CID 61403195) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-cyclopropyl-4-(piperidin-4-ylsulfamoyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-4-(piperidin-4-ylsulfamoyl)pyrrole-2-carboxylic acid
PubChem CID61403195
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name1-cyclopropyl-4-(piperidin-4-ylsulfamoyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NC2CCNCC2)cn1C1CC1
InChIInChI=1S/C13H19N3O4S/c17-13(18)12-7-11(8-16(12)10-1-2-10)21(19,20)15-9-3-5-14-6-4-9/h7-10,14-15H,1-6H2,(H,17,18)
InChIKeyCWKQNCITXVNMFH-UHFFFAOYSA-N
XLogP0.55
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(piperidin-4-ylsulfamoyl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-cyclopropyl-4-(piperidin-4-ylsulfamoyl)pyrrole-2-carboxylic acid (CID 61403195) is 1-cyclopropyl-4-(piperidin-4-ylsulfamoyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-4-(piperidin-4-ylsulfamoyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-4-(piperidin-4-ylsulfamoyl)pyrrole-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NC2CCNCC2)cn1C1CC1.
What is the InChIKey of 1-cyclopropyl-4-(piperidin-4-ylsulfamoyl)pyrrole-2-carboxylic acid?
The InChIKey is CWKQNCITXVNMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c17-13(18)12-7-11(8-16(12)10-1-2-10)21(19,20)15-9-3-5-14-6-4-9/h7-10,14-15H,1-6H2,(H,17,18).
What are the key properties of 1-cyclopropyl-4-(piperidin-4-ylsulfamoyl)pyrrole-2-carboxylic acid?
1-cyclopropyl-4-(piperidin-4-ylsulfamoyl)pyrrole-2-carboxylic acid has a molecular weight of 313.38 g/mol, XLogP of 0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(piperidin-4-ylsulfamoyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 61403195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).