N-(2,2-dimethylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide

C11H19N3O3S — CID 61381311

IUPACN-(2,2-dimethylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCn1cc(S(N)(=O)=O)cc1C(=O)NCC(C)(C)C
InChIInChI=1S/C11H19N3O3S/c1-11(2,3)7-13-10(15)9-5-8(6-14(9)4)18(12,16)17/h5-6H,7H2,1-4H3,(H,13,15)(H2,12,16,17)
InChIKeySOLBDGDWMNGELS-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.45
Rot. Bonds3

About N-(2,2-dimethylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide

N-(2,2-dimethylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide (PubChem CID 61381311) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
PubChem CID61381311
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC NameN-(2,2-dimethylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCn1cc(S(N)(=O)=O)cc1C(=O)NCC(C)(C)C
InChIInChI=1S/C11H19N3O3S/c1-11(2,3)7-13-10(15)9-5-8(6-14(9)4)18(12,16)17/h5-6H,7H2,1-4H3,(H,13,15)(H2,12,16,17)
InChIKeySOLBDGDWMNGELS-UHFFFAOYSA-N
XLogP0.45
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxy-2,2-dimethylbutyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 104625478
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 103711873
N-[(2R)-2-hydroxypropyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 83032455
4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
CID 16780234
1-methyl-N-(3-methylsulfonylpropyl)-4-sulfamoylpyrrole-2-carboxamide
CID 61149529
3-methyl-3-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
CID 64670920
N-(2-ethoxyethyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 60977535
3-methoxy-4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
CID 103153124
1-[[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445226
2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]propanoic acid
CID 16779987
N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 62519693
N-[2-(1H-imidazol-5-yl)ethyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 65231546

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide (CID 61381311) is N-(2,2-dimethylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide is Cn1cc(S(N)(=O)=O)cc1C(=O)NCC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The InChIKey is SOLBDGDWMNGELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-11(2,3)7-13-10(15)9-5-8(6-14(9)4)18(12,16)17/h5-6H,7H2,1-4H3,(H,13,15)(H2,12,16,17).
What are the key properties of N-(2,2-dimethylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
N-(2,2-dimethylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide has a molecular weight of 273.36 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide is sourced from PubChem (CID 61381311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).