4-amino-N-[2-(methylsulfamoyl)ethyl]-1-propylpyrrole-2-carboxamide

C11H20N4O3S — CID 106332688

IUPAC4-amino-N-[2-(methylsulfamoyl)ethyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NCCS(=O)(=O)NC
InChIInChI=1S/C11H20N4O3S/c1-3-5-15-8-9(12)7-10(15)11(16)14-4-6-19(17,18)13-2/h7-8,13H,3-6,12H2,1-2H3,(H,14,16)
InChIKeyXJVWLYNOKSPJCJ-UHFFFAOYSA-N
MW288.37 g/mol
LogP-0.24
Rot. Bonds7

About 4-amino-N-[2-(methylsulfamoyl)ethyl]-1-propylpyrrole-2-carboxamide

4-amino-N-[2-(methylsulfamoyl)ethyl]-1-propylpyrrole-2-carboxamide (PubChem CID 106332688) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-amino-N-[2-(methylsulfamoyl)ethyl]-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(methylsulfamoyl)ethyl]-1-propylpyrrole-2-carboxamide
PubChem CID106332688
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name4-amino-N-[2-(methylsulfamoyl)ethyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NCCS(=O)(=O)NC
InChIInChI=1S/C11H20N4O3S/c1-3-5-15-8-9(12)7-10(15)11(16)14-4-6-19(17,18)13-2/h7-8,13H,3-6,12H2,1-2H3,(H,14,16)
InChIKeyXJVWLYNOKSPJCJ-UHFFFAOYSA-N
XLogP-0.24
TPSA106.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[2-(carbamoylamino)ethyl]-1-propylpyrrole-2-carboxamide
CID 83107929
4-amino-1-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrole-2-carboxamide
CID 106425327
4-amino-N-(5-hydroxy-4-methylpentyl)-1-propylpyrrole-2-carboxamide
CID 106152159
4-amino-N-[2-(dimethylamino)propyl]-1-propylpyrrole-2-carboxamide
CID 61139515
4-amino-1-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrole-2-carboxamide
CID 63238946
4-amino-N-(2,6-difluorophenyl)-1-propylpyrrole-2-carboxamide
CID 43643237
4-amino-N-(2-hydroxy-2-methylpentyl)-1-propylpyrrole-2-carboxamide
CID 106289281
4-amino-N-[(2,4-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 62223456
4-amino-N-[(3-fluorophenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 43643225
4-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide
CID 106391701
4-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
CID 63243289
4-amino-N-[(4-ethylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
CID 61117906

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(methylsulfamoyl)ethyl]-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[2-(methylsulfamoyl)ethyl]-1-propylpyrrole-2-carboxamide (CID 106332688) is 4-amino-N-[2-(methylsulfamoyl)ethyl]-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(methylsulfamoyl)ethyl]-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[2-(methylsulfamoyl)ethyl]-1-propylpyrrole-2-carboxamide is CCCn1cc(N)cc1C(=O)NCCS(=O)(=O)NC.
What is the InChIKey of 4-amino-N-[2-(methylsulfamoyl)ethyl]-1-propylpyrrole-2-carboxamide?
The InChIKey is XJVWLYNOKSPJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-3-5-15-8-9(12)7-10(15)11(16)14-4-6-19(17,18)13-2/h7-8,13H,3-6,12H2,1-2H3,(H,14,16).
What are the key properties of 4-amino-N-[2-(methylsulfamoyl)ethyl]-1-propylpyrrole-2-carboxamide?
4-amino-N-[2-(methylsulfamoyl)ethyl]-1-propylpyrrole-2-carboxamide has a molecular weight of 288.37 g/mol, XLogP of -0.24, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(methylsulfamoyl)ethyl]-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 106332688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).