N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide

C11H19N3O4S2 — CID 103711873

IUPACN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCSCC(C)(O)CNC(=O)c1cc(S(N)(=O)=O)cn1C
InChIInChI=1S/C11H19N3O4S2/c1-11(16,7-19-3)6-13-10(15)9-4-8(5-14(9)2)20(12,17)18/h4-5,16H,6-7H2,1-3H3,(H,13,15)(H2,12,17,18)
InChIKeyWCGMZPALDJJNKZ-UHFFFAOYSA-N
MW321.42 g/mol
LogP-0.48
Rot. Bonds6

About N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide (PubChem CID 103711873) has the molecular formula C11H19N3O4S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
PubChem CID103711873
Molecular FormulaC11H19N3O4S2
Molecular Weight321.42 g/mol
Exact Mass321.08
IUPAC NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCSCC(C)(O)CNC(=O)c1cc(S(N)(=O)=O)cn1C
InChIInChI=1S/C11H19N3O4S2/c1-11(16,7-19-3)6-13-10(15)9-4-8(5-14(9)2)20(12,17)18/h4-5,16H,6-7H2,1-3H3,(H,13,15)(H2,12,17,18)
InChIKeyWCGMZPALDJJNKZ-UHFFFAOYSA-N
XLogP-0.48
TPSA114.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,2-dimethylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 61381311
4-bromo-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-1-methylpyrrole-2-carboxamide
CID 96565339
N-(4-methoxy-2,2-dimethylbutyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 104625478
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
3-ethyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methylpyrazole-5-carboxamide
CID 114163305
N-(2-ethoxyethyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 60977535
N-[2-(1H-imidazol-5-yl)ethyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 65231546
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

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide (CID 103711873) is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide is CSCC(C)(O)CNC(=O)c1cc(S(N)(=O)=O)cn1C.
What is the InChIKey of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The InChIKey is WCGMZPALDJJNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S2/c1-11(16,7-19-3)6-13-10(15)9-4-8(5-14(9)2)20(12,17)18/h4-5,16H,6-7H2,1-3H3,(H,13,15)(H2,12,17,18).
What are the key properties of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide has a molecular weight of 321.42 g/mol, XLogP of -0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide is sourced from PubChem (CID 103711873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).