1-ethyl-4-(2-ethylpiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid

C14H22N2O4S — CID 43644497

IUPAC1-ethyl-4-(2-ethylpiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid
SMILESCCC1CCCCN1S(=O)(=O)c1cc(C(=O)O)n(CC)c1
InChIInChI=1S/C14H22N2O4S/c1-3-11-7-5-6-8-16(11)21(19,20)12-9-13(14(17)18)15(4-2)10-12/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyLAGKHHHLVLCTHF-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.16
Rot. Bonds5

About 1-ethyl-4-(2-ethylpiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid

1-ethyl-4-(2-ethylpiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid (PubChem CID 43644497) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-ethyl-4-(2-ethylpiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-4-(2-ethylpiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid
PubChem CID43644497
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name1-ethyl-4-(2-ethylpiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid
SMILESCCC1CCCCN1S(=O)(=O)c1cc(C(=O)O)n(CC)c1
InChIInChI=1S/C14H22N2O4S/c1-3-11-7-5-6-8-16(11)21(19,20)12-9-13(14(17)18)15(4-2)10-12/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyLAGKHHHLVLCTHF-UHFFFAOYSA-N
XLogP2.16
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-4-(2-ethylpiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylpyrrole-2-carboxylic acid
CID 107215224
4-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-1-propylpyrrole-2-carboxylic acid
CID 61409191
4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-1-propylpyrrole-2-carboxylic acid
CID 107215322
4-(2-methylpiperidin-1-yl)sulfonyl-1-propylpyrrole-2-carboxylic acid
CID 43644200
1-ethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid
CID 43644162
4-(3,4-dihydroxypyrrolidin-1-yl)sulfonyl-1-ethylpyrrole-2-carboxylic acid
CID 106668340
1-ethyl-4-[(1-methylpyrrolidin-2-yl)methylsulfamoyl]pyrrole-2-carboxylic acid
CID 106019286
4-(cyclopropylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid
CID 43644226
1-[5-(chloromethyl)-1-methylpyrrol-3-yl]sulfonyl-2-ethylazepane
CID 104692828
4-(2-cyclopentylethylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid
CID 60920573
1-ethyl-4-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyrrole-2-carboxylic acid
CID 62988344
[3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-pyrrolidin-1-ylmethanone
CID 47952525

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-ethylpiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid?
The IUPAC name of 1-ethyl-4-(2-ethylpiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid (CID 43644497) is 1-ethyl-4-(2-ethylpiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid.
What is the SMILES notation for 1-ethyl-4-(2-ethylpiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid?
The canonical SMILES for 1-ethyl-4-(2-ethylpiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid is CCC1CCCCN1S(=O)(=O)c1cc(C(=O)O)n(CC)c1.
What is the InChIKey of 1-ethyl-4-(2-ethylpiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid?
The InChIKey is LAGKHHHLVLCTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-3-11-7-5-6-8-16(11)21(19,20)12-9-13(14(17)18)15(4-2)10-12/h9-11H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 1-ethyl-4-(2-ethylpiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid?
1-ethyl-4-(2-ethylpiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid has a molecular weight of 314.41 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-ethylpiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid is sourced from PubChem (CID 43644497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).