4-[3-(ethylamino)propylsulfamoyl]-1-methylpyrrole-2-carboxylic acid

C11H19N3O4S — CID 61403394

IUPAC4-[3-(ethylamino)propylsulfamoyl]-1-methylpyrrole-2-carboxylic acid
SMILESCCNCCCNS(=O)(=O)c1cc(C(=O)O)n(C)c1
InChIInChI=1S/C11H19N3O4S/c1-3-12-5-4-6-13-19(17,18)9-7-10(11(15)16)14(2)8-9/h7-8,12-13H,3-6H2,1-2H3,(H,15,16)
InChIKeyPVERAXBXYMWFAG-UHFFFAOYSA-N
MW289.36 g/mol
LogP0.00
Rot. Bonds8

About 4-[3-(ethylamino)propylsulfamoyl]-1-methylpyrrole-2-carboxylic acid

4-[3-(ethylamino)propylsulfamoyl]-1-methylpyrrole-2-carboxylic acid (PubChem CID 61403394) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-[3-(ethylamino)propylsulfamoyl]-1-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-(ethylamino)propylsulfamoyl]-1-methylpyrrole-2-carboxylic acid
PubChem CID61403394
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name4-[3-(ethylamino)propylsulfamoyl]-1-methylpyrrole-2-carboxylic acid
SMILESCCNCCCNS(=O)(=O)c1cc(C(=O)O)n(C)c1
InChIInChI=1S/C11H19N3O4S/c1-3-12-5-4-6-13-19(17,18)9-7-10(11(15)16)14(2)8-9/h7-8,12-13H,3-6H2,1-2H3,(H,15,16)
InChIKeyPVERAXBXYMWFAG-UHFFFAOYSA-N
XLogP0.00
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(ethylamino)propylsulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 61403782
1-ethyl-4-[3-(ethylamino)propylsulfamoyl]pyrrole-2-carboxylic acid
CID 61403829
1-methyl-4-(4-methylsulfanylbutylsulfamoyl)pyrrole-2-carboxylic acid
CID 113437792
4-[2-(ethylamino)ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 62664942
1-methyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43552078
4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 93081616
5-[3-(ethylamino)propylsulfamoyl]-2-methylbenzoic acid
CID 61403539
1-methyl-4-methylsulfonylpyrrole-2-carboxylic acid
CID 130741951
4-(1,3-dihydroxypropan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid
CID 65312614
4-(1-hydroxybutan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid
CID 43498989
4-(heptan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid
CID 43421839
4-(2-methoxyethoxysulfamoyl)-1-methylpyrrole-2-carboxylic acid
CID 82706005

Frequently Asked Questions

What is the IUPAC name of 4-[3-(ethylamino)propylsulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The IUPAC name of 4-[3-(ethylamino)propylsulfamoyl]-1-methylpyrrole-2-carboxylic acid (CID 61403394) is 4-[3-(ethylamino)propylsulfamoyl]-1-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[3-(ethylamino)propylsulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-[3-(ethylamino)propylsulfamoyl]-1-methylpyrrole-2-carboxylic acid is CCNCCCNS(=O)(=O)c1cc(C(=O)O)n(C)c1.
What is the InChIKey of 4-[3-(ethylamino)propylsulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The InChIKey is PVERAXBXYMWFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-3-12-5-4-6-13-19(17,18)9-7-10(11(15)16)14(2)8-9/h7-8,12-13H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 4-[3-(ethylamino)propylsulfamoyl]-1-methylpyrrole-2-carboxylic acid?
4-[3-(ethylamino)propylsulfamoyl]-1-methylpyrrole-2-carboxylic acid has a molecular weight of 289.36 g/mol, XLogP of 0.00, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(ethylamino)propylsulfamoyl]-1-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 61403394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).