1-methyl-N-[1-(oxolan-3-yl)ethyl]-4-sulfamoylpyrrole-2-carboxamide

C12H19N3O4S — CID 115664874

IUPAC1-methyl-N-[1-(oxolan-3-yl)ethyl]-4-sulfamoylpyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(S(N)(=O)=O)cn1C)C1CCOC1
InChIInChI=1S/C12H19N3O4S/c1-8(9-3-4-19-7-9)14-12(16)11-5-10(6-15(11)2)20(13,17)18/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,16)(H2,13,17,18)
InChIKeyMGFZRDOOGFIJGY-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.17
Rot. Bonds4

About 1-methyl-N-[1-(oxolan-3-yl)ethyl]-4-sulfamoylpyrrole-2-carboxamide

1-methyl-N-[1-(oxolan-3-yl)ethyl]-4-sulfamoylpyrrole-2-carboxamide (PubChem CID 115664874) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-methyl-N-[1-(oxolan-3-yl)ethyl]-4-sulfamoylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(oxolan-3-yl)ethyl]-4-sulfamoylpyrrole-2-carboxamide
PubChem CID115664874
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name1-methyl-N-[1-(oxolan-3-yl)ethyl]-4-sulfamoylpyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(S(N)(=O)=O)cn1C)C1CCOC1
InChIInChI=1S/C12H19N3O4S/c1-8(9-3-4-19-7-9)14-12(16)11-5-10(6-15(11)2)20(13,17)18/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,16)(H2,13,17,18)
InChIKeyMGFZRDOOGFIJGY-UHFFFAOYSA-N
XLogP-0.17
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]propanoic acid
CID 16779987
N-(1-methoxypropan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 60718274
N-(2-cyclopropyloxolan-3-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 103865048
N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 65381407
1-methyl-4-sulfamoyl-N-[(1S)-1-(2,4,6-trifluorophenyl)ethyl]pyrrole-2-carboxamide
CID 166370858
N-[(2R)-2-hydroxypropyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 83032455
3-[[(1R)-1-[(3R)-oxolan-3-yl]ethyl]carbamoyl]benzoic acid
CID 124595766
3-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113366833
(2S)-4-amino-2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]-4-oxobutanoic acid
CID 63713897
1-methyl-5-(morpholine-4-carbonyl)pyrrole-3-sulfonamide
CID 33400694
4-[1-(oxolan-3-yl)ethylcarbamoyl]benzoic acid
CID 113263166
3-(cyclopropylmethylsulfamoyl)-N-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 100624397

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(oxolan-3-yl)ethyl]-4-sulfamoylpyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-[1-(oxolan-3-yl)ethyl]-4-sulfamoylpyrrole-2-carboxamide (CID 115664874) is 1-methyl-N-[1-(oxolan-3-yl)ethyl]-4-sulfamoylpyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(oxolan-3-yl)ethyl]-4-sulfamoylpyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(oxolan-3-yl)ethyl]-4-sulfamoylpyrrole-2-carboxamide is CC(NC(=O)c1cc(S(N)(=O)=O)cn1C)C1CCOC1.
What is the InChIKey of 1-methyl-N-[1-(oxolan-3-yl)ethyl]-4-sulfamoylpyrrole-2-carboxamide?
The InChIKey is MGFZRDOOGFIJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-8(9-3-4-19-7-9)14-12(16)11-5-10(6-15(11)2)20(13,17)18/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,16)(H2,13,17,18).
What are the key properties of 1-methyl-N-[1-(oxolan-3-yl)ethyl]-4-sulfamoylpyrrole-2-carboxamide?
1-methyl-N-[1-(oxolan-3-yl)ethyl]-4-sulfamoylpyrrole-2-carboxamide has a molecular weight of 301.37 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(oxolan-3-yl)ethyl]-4-sulfamoylpyrrole-2-carboxamide is sourced from PubChem (CID 115664874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).