4-[3-aminopropyl(methyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide

C11H20N4O3S — CID 115319081

IUPAC4-[3-aminopropyl(methyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)N(C)CCCN)cn1C
InChIInChI=1S/C11H20N4O3S/c1-13-11(16)10-7-9(8-14(10)2)19(17,18)15(3)6-4-5-12/h7-8H,4-6,12H2,1-3H3,(H,13,16)
InChIKeyLPEXSIWJQGVQIK-UHFFFAOYSA-N
MW288.37 g/mol
LogP-0.65
Rot. Bonds6

About 4-[3-aminopropyl(methyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide

4-[3-aminopropyl(methyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 115319081) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-[3-aminopropyl(methyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[3-aminopropyl(methyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
PubChem CID115319081
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name4-[3-aminopropyl(methyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)N(C)CCCN)cn1C
InChIInChI=1S/C11H20N4O3S/c1-13-11(16)10-7-9(8-14(10)2)19(17,18)15(3)6-4-5-12/h7-8H,4-6,12H2,1-3H3,(H,13,16)
InChIKeyLPEXSIWJQGVQIK-UHFFFAOYSA-N
XLogP-0.65
TPSA97.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[ethyl(2-hydroxyethyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 54878712
5-(hydrazinecarbonyl)-N,N,1-trimethylpyrrole-3-sulfonamide
CID 16780167
4-[2-hydroxyethyl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 54876261
4-(1-aminobutan-2-ylsulfamoyl)-N,1-dimethylpyrrole-2-carboxamide
CID 65193315
4-[(2-amino-1-cyclopropylethyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 65188824
4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-1-methylpyrrole-2-carboxamide
CID 79652333
4-N-(3-aminopropyl)-1-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 115319076
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-[(3-chlorophenyl)methyl-ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 47065074
4-[(1-aminocycloheptyl)methylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 119998679
4-[(4-hydroxy-3-methylbutan-2-yl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 115754747

Frequently Asked Questions

What is the IUPAC name of 4-[3-aminopropyl(methyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of 4-[3-aminopropyl(methyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide (CID 115319081) is 4-[3-aminopropyl(methyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[3-aminopropyl(methyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 4-[3-aminopropyl(methyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide is CNC(=O)c1cc(S(=O)(=O)N(C)CCCN)cn1C.
What is the InChIKey of 4-[3-aminopropyl(methyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is LPEXSIWJQGVQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-13-11(16)10-7-9(8-14(10)2)19(17,18)15(3)6-4-5-12/h7-8H,4-6,12H2,1-3H3,(H,13,16).
What are the key properties of 4-[3-aminopropyl(methyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide?
4-[3-aminopropyl(methyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 288.37 g/mol, XLogP of -0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-aminopropyl(methyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 115319081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).