1-ethyl-4-[(1-methylpiperidin-4-yl)sulfamoyl]pyrrole-2-carboxylic acid

C13H21N3O4S — CID 43644573

IUPAC1-ethyl-4-[(1-methylpiperidin-4-yl)sulfamoyl]pyrrole-2-carboxylic acid
SMILESCCn1cc(S(=O)(=O)NC2CCN(C)CC2)cc1C(=O)O
InChIInChI=1S/C13H21N3O4S/c1-3-16-9-11(8-12(16)13(17)18)21(19,20)14-10-4-6-15(2)7-5-10/h8-10,14H,3-7H2,1-2H3,(H,17,18)
InChIKeyIPJYQMAZCWKTGT-UHFFFAOYSA-N
MW315.40 g/mol
LogP0.58
Rot. Bonds5

About 1-ethyl-4-[(1-methylpiperidin-4-yl)sulfamoyl]pyrrole-2-carboxylic acid

1-ethyl-4-[(1-methylpiperidin-4-yl)sulfamoyl]pyrrole-2-carboxylic acid (PubChem CID 43644573) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is 1-ethyl-4-[(1-methylpiperidin-4-yl)sulfamoyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-4-[(1-methylpiperidin-4-yl)sulfamoyl]pyrrole-2-carboxylic acid
PubChem CID43644573
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name1-ethyl-4-[(1-methylpiperidin-4-yl)sulfamoyl]pyrrole-2-carboxylic acid
SMILESCCn1cc(S(=O)(=O)NC2CCN(C)CC2)cc1C(=O)O
InChIInChI=1S/C13H21N3O4S/c1-3-16-9-11(8-12(16)13(17)18)21(19,20)14-10-4-6-15(2)7-5-10/h8-10,14H,3-7H2,1-2H3,(H,17,18)
InChIKeyIPJYQMAZCWKTGT-UHFFFAOYSA-N
XLogP0.58
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-4-[(1-methylpyrrolidin-3-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 61465078
4-(cyclopropylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid
CID 43644226
1-ethyl-4-[(3-methylsulfanylcyclopentyl)sulfamoyl]pyrrole-2-carboxylic acid
CID 104655228
1-ethyl-4-[(5-oxopyrrolidin-3-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 106185307
1-ethyl-4-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]sulfamoyl]pyrrole-2-carboxylic acid
CID 124683804
1-ethyl-4-[(1-methylpyrrolidin-2-yl)methylsulfamoyl]pyrrole-2-carboxylic acid
CID 106019286
4-(2-cyclopentylethylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid
CID 60920573
1-ethyl-4-(2-pyrrolidin-1-ylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 62641780
1-ethyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 43644624
4-[(5-oxopyrrolidin-3-yl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 106185356
4-[(2-amino-2-oxoethyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 43644264
1-ethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644182

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(1-methylpiperidin-4-yl)sulfamoyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-ethyl-4-[(1-methylpiperidin-4-yl)sulfamoyl]pyrrole-2-carboxylic acid (CID 43644573) is 1-ethyl-4-[(1-methylpiperidin-4-yl)sulfamoyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-ethyl-4-[(1-methylpiperidin-4-yl)sulfamoyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-ethyl-4-[(1-methylpiperidin-4-yl)sulfamoyl]pyrrole-2-carboxylic acid is CCn1cc(S(=O)(=O)NC2CCN(C)CC2)cc1C(=O)O.
What is the InChIKey of 1-ethyl-4-[(1-methylpiperidin-4-yl)sulfamoyl]pyrrole-2-carboxylic acid?
The InChIKey is IPJYQMAZCWKTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-3-16-9-11(8-12(16)13(17)18)21(19,20)14-10-4-6-15(2)7-5-10/h8-10,14H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 1-ethyl-4-[(1-methylpiperidin-4-yl)sulfamoyl]pyrrole-2-carboxylic acid?
1-ethyl-4-[(1-methylpiperidin-4-yl)sulfamoyl]pyrrole-2-carboxylic acid has a molecular weight of 315.40 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(1-methylpiperidin-4-yl)sulfamoyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 43644573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).