1-ethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)pyrrole-3-sulfonamide

C13H25N3O2S — CID 106031575

IUPAC1-ethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)pyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC(C)(C)CC)cc1CNC
InChIInChI=1S/C13H25N3O2S/c1-6-13(3,4)15-19(17,18)12-8-11(9-14-5)16(7-2)10-12/h8,10,14-15H,6-7,9H2,1-5H3
InChIKeyURLCIVKEWBDAEN-UHFFFAOYSA-N
MW287.43 g/mol
LogP1.69
Rot. Bonds7

About 1-ethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)pyrrole-3-sulfonamide

1-ethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)pyrrole-3-sulfonamide (PubChem CID 106031575) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-ethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-ethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)pyrrole-3-sulfonamide
PubChem CID106031575
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name1-ethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)pyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC(C)(C)CC)cc1CNC
InChIInChI=1S/C13H25N3O2S/c1-6-13(3,4)15-19(17,18)12-8-11(9-14-5)16(7-2)10-12/h8,10,14-15H,6-7,9H2,1-5H3
InChIKeyURLCIVKEWBDAEN-UHFFFAOYSA-N
XLogP1.69
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-(1-methoxy-2-methylpropan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106080742
1-ethyl-N-(2-methylbutan-2-yl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 106031460
1-ethyl-5-(methylaminomethyl)-N-piperidin-1-ylpyrrole-3-sulfonamide
CID 106075400
1-ethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644182
1-ethyl-5-(methylaminomethyl)-N-(1-methylcyclopropyl)pyrrole-3-sulfonamide
CID 113486202
1-ethyl-5-(methylaminomethyl)-N-pyrimidin-2-ylpyrrole-3-sulfonamide
CID 106072059
N-[1-(dimethylamino)propan-2-yl]-1-ethyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106074488
N-(2,2-dimethylbutyl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide
CID 103466111
1-ethyl-5-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-3-sulfonamide
CID 106065070
1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106085262
1-ethyl-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)pyrrole-3-sulfonamide
CID 106089558
1-ethyl-N-(3-iodophenyl)-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106029526

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)pyrrole-3-sulfonamide?
The IUPAC name of 1-ethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)pyrrole-3-sulfonamide (CID 106031575) is 1-ethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)pyrrole-3-sulfonamide.
What is the SMILES notation for 1-ethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)pyrrole-3-sulfonamide?
The canonical SMILES for 1-ethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)pyrrole-3-sulfonamide is CCn1cc(S(=O)(=O)NC(C)(C)CC)cc1CNC.
What is the InChIKey of 1-ethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)pyrrole-3-sulfonamide?
The InChIKey is URLCIVKEWBDAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-6-13(3,4)15-19(17,18)12-8-11(9-14-5)16(7-2)10-12/h8,10,14-15H,6-7,9H2,1-5H3.
What are the key properties of 1-ethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)pyrrole-3-sulfonamide?
1-ethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)pyrrole-3-sulfonamide has a molecular weight of 287.43 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)pyrrole-3-sulfonamide is sourced from PubChem (CID 106031575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).