4-piperidin-1-ylsulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid

C13H20N2O4S — CID 43644293

IUPAC4-piperidin-1-ylsulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid
SMILESCC(C)n1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)O
InChIInChI=1S/C13H20N2O4S/c1-10(2)15-9-11(8-12(15)13(16)17)20(18,19)14-6-4-3-5-7-14/h8-10H,3-7H2,1-2H3,(H,16,17)
InChIKeyPRHHPGGSFYZVIW-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.94
Rot. Bonds4

About 4-piperidin-1-ylsulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid

4-piperidin-1-ylsulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid (PubChem CID 43644293) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-piperidin-1-ylsulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-piperidin-1-ylsulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid
PubChem CID43644293
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name4-piperidin-1-ylsulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid
SMILESCC(C)n1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)O
InChIInChI=1S/C13H20N2O4S/c1-10(2)15-9-11(8-12(15)13(16)17)20(18,19)14-6-4-3-5-7-14/h8-10H,3-7H2,1-2H3,(H,16,17)
InChIKeyPRHHPGGSFYZVIW-UHFFFAOYSA-N
XLogP1.94
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-propan-2-yl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylic acid
CID 43644167
4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]sulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid
CID 107215988
4-(4-aminopiperidin-1-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid
CID 61402858
4-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid
CID 62941698
1-cyclopropyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxylic acid
CID 43644291
3-methyl-2-[(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]butanoic acid
CID 119170435
4-(3-methylmorpholin-4-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid
CID 43644635
4-(diethylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid
CID 43644195
4-(cyanomethylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid
CID 61206942
4-[2-hydroxypropyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid
CID 62332568
1-propan-2-yl-4-[propan-2-yl(prop-2-enyl)sulfamoyl]pyrrole-2-carboxylic acid
CID 60951201
1-propan-2-yl-4-(2,2,2-trifluoroethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644406

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-ylsulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid?
The IUPAC name of 4-piperidin-1-ylsulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid (CID 43644293) is 4-piperidin-1-ylsulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-piperidin-1-ylsulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-piperidin-1-ylsulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid is CC(C)n1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)O.
What is the InChIKey of 4-piperidin-1-ylsulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid?
The InChIKey is PRHHPGGSFYZVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-10(2)15-9-11(8-12(15)13(16)17)20(18,19)14-6-4-3-5-7-14/h8-10H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 4-piperidin-1-ylsulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid?
4-piperidin-1-ylsulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid has a molecular weight of 300.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylsulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid is sourced from PubChem (CID 43644293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).