4-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide

C12H19N3O4S — CID 63298942

IUPAC4-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)NCC(O)C2CC2)cn1C
InChIInChI=1S/C12H19N3O4S/c1-13-12(17)10-5-9(7-15(10)2)20(18,19)14-6-11(16)8-3-4-8/h5,7-8,11,14,16H,3-4,6H2,1-2H3,(H,13,17)
InChIKeyYPRDCXLWOUYFMD-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.57
Rot. Bonds6

About 4-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide

4-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 63298942) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 4-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
PubChem CID63298942
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name4-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)NCC(O)C2CC2)cn1C
InChIInChI=1S/C12H19N3O4S/c1-13-12(17)10-5-9(7-15(10)2)20(18,19)14-6-11(16)8-3-4-8/h5,7-8,11,14,16H,3-4,6H2,1-2H3,(H,13,17)
InChIKeyYPRDCXLWOUYFMD-UHFFFAOYSA-N
XLogP-0.57
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.57
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
3-methyl-4-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylamino]butanoic acid
CID 81066158
4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 115301253
4-[(4-aminocyclohexyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 79114557
N,1-dimethyl-4-(pyrrolidin-2-ylmethylsulfamoyl)pyrrole-2-carboxamide
CID 62541291
N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide
CID 63298486
4-[(4-hydroxy-3-methylbutan-2-yl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 115754747
4-[(1-hydroxycyclobutyl)methylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 115753892
4-[2-(ethylamino)ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 62664942
4-[(2-ethyl-2-hydroxybutyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 65113366
(2S,3R)-3-hydroxy-2-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylamino]butanoic acid
CID 104935223
4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 93081616

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of 4-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide (CID 63298942) is 4-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 4-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide is CNC(=O)c1cc(S(=O)(=O)NCC(O)C2CC2)cn1C.
What is the InChIKey of 4-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is YPRDCXLWOUYFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-13-12(17)10-5-9(7-15(10)2)20(18,19)14-6-11(16)8-3-4-8/h5,7-8,11,14,16H,3-4,6H2,1-2H3,(H,13,17).
What are the key properties of 4-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide?
4-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 301.37 g/mol, XLogP of -0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 63298942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).