1-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]piperidine-4-carboxylic acid

C12H19N3O4S — CID 79090563

IUPAC1-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCc1ccc(C)n1NS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H19N3O4S/c1-9-3-4-10(2)15(9)13-20(18,19)14-7-5-11(6-8-14)12(16)17/h3-4,11,13H,5-8H2,1-2H3,(H,16,17)
InChIKeyUDJSUBUDHOJJQI-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.69
Rot. Bonds4

About 1-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]piperidine-4-carboxylic acid

1-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]piperidine-4-carboxylic acid (PubChem CID 79090563) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]piperidine-4-carboxylic acid
PubChem CID79090563
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name1-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCc1ccc(C)n1NS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H19N3O4S/c1-9-3-4-10(2)15(9)13-20(18,19)14-7-5-11(6-8-14)12(16)17/h3-4,11,13H,5-8H2,1-2H3,(H,16,17)
InChIKeyUDJSUBUDHOJJQI-UHFFFAOYSA-N
XLogP0.69
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,3-dimethylphenyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60859379
1-[(3-chloro-2-methylphenyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60859391
1-[(4-chlorophenyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60858072
1-[(2-chlorophenyl)methylsulfamoyl]piperidine-4-carboxylic acid
CID 60858419
1-[(2,3-difluorophenyl)sulfamoyl]piperidine-4-carboxylic acid
CID 61075380
1-[(2-fluorophenyl)methylsulfamoyl]piperidine-4-carboxylic acid
CID 60858075
1-[(5-fluoro-2-pyridinyl)sulfamoyl]piperidine-4-carboxylic acid
CID 65482449
1-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 60859244
1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxylic acid
CID 91671442
1-[(2-methoxy-2-oxoethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60858730
1-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 60858282
1-[(5-tert-butylfuran-2-yl)methylsulfamoyl]piperidine-4-carboxylic acid
CID 154802558

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]piperidine-4-carboxylic acid (CID 79090563) is 1-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]piperidine-4-carboxylic acid is Cc1ccc(C)n1NS(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is UDJSUBUDHOJJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-9-3-4-10(2)15(9)13-20(18,19)14-7-5-11(6-8-14)12(16)17/h3-4,11,13H,5-8H2,1-2H3,(H,16,17).
What are the key properties of 1-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]piperidine-4-carboxylic acid?
1-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 301.37 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 79090563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).