4-(1-aminobutan-2-ylsulfamoyl)-N,1-dimethylpyrrole-2-carboxamide

C11H20N4O3S — CID 65193315

IUPAC4-(1-aminobutan-2-ylsulfamoyl)-N,1-dimethylpyrrole-2-carboxamide
SMILESCCC(CN)NS(=O)(=O)c1cc(C(=O)NC)n(C)c1
InChIInChI=1S/C11H20N4O3S/c1-4-8(6-12)14-19(17,18)9-5-10(11(16)13-2)15(3)7-9/h5,7-8,14H,4,6,12H2,1-3H3,(H,13,16)
InChIKeyYFMJTQBIXKJHDG-UHFFFAOYSA-N
MW288.37 g/mol
LogP-0.60
Rot. Bonds6

About 4-(1-aminobutan-2-ylsulfamoyl)-N,1-dimethylpyrrole-2-carboxamide

4-(1-aminobutan-2-ylsulfamoyl)-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 65193315) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-(1-aminobutan-2-ylsulfamoyl)-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(1-aminobutan-2-ylsulfamoyl)-N,1-dimethylpyrrole-2-carboxamide
PubChem CID65193315
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name4-(1-aminobutan-2-ylsulfamoyl)-N,1-dimethylpyrrole-2-carboxamide
SMILESCCC(CN)NS(=O)(=O)c1cc(C(=O)NC)n(C)c1
InChIInChI=1S/C11H20N4O3S/c1-4-8(6-12)14-19(17,18)9-5-10(11(16)13-2)15(3)7-9/h5,7-8,14H,4,6,12H2,1-3H3,(H,13,16)
InChIKeyYFMJTQBIXKJHDG-UHFFFAOYSA-N
XLogP-0.60
TPSA106.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-amino-1-cyclopropylethyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 65188824
4-[(4-hydroxy-3-methylbutan-2-yl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 115754747
4-(1-hydroxybutan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid
CID 43498989
(2S,3R)-3-hydroxy-2-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylamino]butanoic acid
CID 104935223
N-[(2R)-1-hydroxybutan-2-yl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 93041462
4-[2-(ethylamino)ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 62664942
4-[(2-ethyl-2-hydroxybutyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 65113366
4-(1,3-dihydroxypropan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid
CID 65312614
4-[(4-aminocyclohexyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 79114557
3-methyl-4-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylamino]butanoic acid
CID 81066158
4-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 63298942
4-[(1-hydroxycyclobutyl)methylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 115753892

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminobutan-2-ylsulfamoyl)-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of 4-(1-aminobutan-2-ylsulfamoyl)-N,1-dimethylpyrrole-2-carboxamide (CID 65193315) is 4-(1-aminobutan-2-ylsulfamoyl)-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-(1-aminobutan-2-ylsulfamoyl)-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 4-(1-aminobutan-2-ylsulfamoyl)-N,1-dimethylpyrrole-2-carboxamide is CCC(CN)NS(=O)(=O)c1cc(C(=O)NC)n(C)c1.
What is the InChIKey of 4-(1-aminobutan-2-ylsulfamoyl)-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is YFMJTQBIXKJHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-4-8(6-12)14-19(17,18)9-5-10(11(16)13-2)15(3)7-9/h5,7-8,14H,4,6,12H2,1-3H3,(H,13,16).
What are the key properties of 4-(1-aminobutan-2-ylsulfamoyl)-N,1-dimethylpyrrole-2-carboxamide?
4-(1-aminobutan-2-ylsulfamoyl)-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 288.37 g/mol, XLogP of -0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminobutan-2-ylsulfamoyl)-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 65193315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).