N-(1-cyclopropylbutan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide

C12H19N3O3S — CID 65388887

IUPACN-(1-cyclopropylbutan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
SMILESCCC(CC1CC1)NC(=O)c1cc(S(N)(=O)=O)c[nH]1
InChIInChI=1S/C12H19N3O3S/c1-2-9(5-8-3-4-8)15-12(16)11-6-10(7-14-11)19(13,17)18/h6-9,14H,2-5H2,1H3,(H,15,16)(H2,13,17,18)
InChIKeyOJFSFBKOVXENAS-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.97
Rot. Bonds6

About N-(1-cyclopropylbutan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide

N-(1-cyclopropylbutan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide (PubChem CID 65388887) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(1-cyclopropylbutan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylbutan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
PubChem CID65388887
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-(1-cyclopropylbutan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
SMILESCCC(CC1CC1)NC(=O)c1cc(S(N)(=O)=O)c[nH]1
InChIInChI=1S/C12H19N3O3S/c1-2-9(5-8-3-4-8)15-12(16)11-6-10(7-14-11)19(13,17)18/h6-9,14H,2-5H2,1H3,(H,15,16)(H2,13,17,18)
InChIKeyOJFSFBKOVXENAS-UHFFFAOYSA-N
XLogP0.97
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropylpropan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65387153
N-(1-cyclohexylpropyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65387692
N-(1-cyclopropylethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65386253
N-(4-propylcyclohexyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65388033
N-(1-methoxypentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65381999
N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65388360
N-(1-methylsulfonylpropan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65380794
N-propyl-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65375918
N-(2-methylcyclopropyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65386729
5-(4-propylpiperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 65386533
N-(3-methyl-2-propan-2-ylbutyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 102915536
N-pentyl-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65375173

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylbutan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(1-cyclopropylbutan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide (CID 65388887) is N-(1-cyclopropylbutan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(1-cyclopropylbutan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(1-cyclopropylbutan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide is CCC(CC1CC1)NC(=O)c1cc(S(N)(=O)=O)c[nH]1.
What is the InChIKey of N-(1-cyclopropylbutan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide?
The InChIKey is OJFSFBKOVXENAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-2-9(5-8-3-4-8)15-12(16)11-6-10(7-14-11)19(13,17)18/h6-9,14H,2-5H2,1H3,(H,15,16)(H2,13,17,18).
What are the key properties of N-(1-cyclopropylbutan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide?
N-(1-cyclopropylbutan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 0.97, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylbutan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 65388887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).