4-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1-methylpyrrole-2-carboxamide

C12H21N3O4S — CID 103834466

IUPAC4-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
SMILESCC(C)CC(O)CNS(=O)(=O)c1cc(C(N)=O)n(C)c1
InChIInChI=1S/C12H21N3O4S/c1-8(2)4-9(16)6-14-20(18,19)10-5-11(12(13)17)15(3)7-10/h5,7-9,14,16H,4,6H2,1-3H3,(H2,13,17)
InChIKeyOXZCYOWTAPQOEC-UHFFFAOYSA-N
MW303.38 g/mol
LogP-0.19
Rot. Bonds7

About 4-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1-methylpyrrole-2-carboxamide

4-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1-methylpyrrole-2-carboxamide (PubChem CID 103834466) has the molecular formula C12H21N3O4S and a molecular weight of 303.38 g/mol. Its IUPAC name is 4-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
PubChem CID103834466
Molecular FormulaC12H21N3O4S
Molecular Weight303.38 g/mol
Exact Mass303.13
IUPAC Name4-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
SMILESCC(C)CC(O)CNS(=O)(=O)c1cc(C(N)=O)n(C)c1
InChIInChI=1S/C12H21N3O4S/c1-8(2)4-9(16)6-14-20(18,19)10-5-11(12(13)17)15(3)7-10/h5,7-9,14,16H,4,6H2,1-3H3,(H2,13,17)
InChIKeyOXZCYOWTAPQOEC-UHFFFAOYSA-N
XLogP-0.19
TPSA114.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 83030008
4-(2-hydroxypropylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 43502336
3-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-2-methylpropanoic acid
CID 62674475
4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 115301253
4-[(2-hydroxy-4-methylpentyl)sulfamoyl]benzamide
CID 103834407
4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 93081616
4-[(2-amino-2-methylpropyl)sulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119988182
1-methyl-4-[2-(methylamino)ethylsulfamoyl]pyrrole-2-carboxamide;hydrochloride
CID 119973057
5-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-2-methylpentanoic acid
CID 104682888
(2R)-2-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-3-methylbutanoic acid
CID 79010821
4-amino-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
CID 113431244
(2S)-2-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 61142375

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1-methylpyrrole-2-carboxamide (CID 103834466) is 4-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1-methylpyrrole-2-carboxamide is CC(C)CC(O)CNS(=O)(=O)c1cc(C(N)=O)n(C)c1.
What is the InChIKey of 4-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is OXZCYOWTAPQOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S/c1-8(2)4-9(16)6-14-20(18,19)10-5-11(12(13)17)15(3)7-10/h5,7-9,14,16H,4,6H2,1-3H3,(H2,13,17).
What are the key properties of 4-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1-methylpyrrole-2-carboxamide?
4-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 303.38 g/mol, XLogP of -0.19, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 103834466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).