1-cyclopropyl-N-[methyl(propyl)sulfamoyl]pyrrole-2-carboxamide

C12H19N3O3S — CID 75499558

IUPAC1-cyclopropyl-N-[methyl(propyl)sulfamoyl]pyrrole-2-carboxamide
SMILESCCCN(C)S(=O)(=O)NC(=O)c1cccn1C1CC1
InChIInChI=1S/C12H19N3O3S/c1-3-8-14(2)19(17,18)13-12(16)11-5-4-9-15(11)10-6-7-10/h4-5,9-10H,3,6-8H2,1-2H3,(H,13,16)
InChIKeyKJQJDNPFFTTWLW-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.14
Rot. Bonds6

About 1-cyclopropyl-N-[methyl(propyl)sulfamoyl]pyrrole-2-carboxamide

1-cyclopropyl-N-[methyl(propyl)sulfamoyl]pyrrole-2-carboxamide (PubChem CID 75499558) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-cyclopropyl-N-[methyl(propyl)sulfamoyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[methyl(propyl)sulfamoyl]pyrrole-2-carboxamide
PubChem CID75499558
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name1-cyclopropyl-N-[methyl(propyl)sulfamoyl]pyrrole-2-carboxamide
SMILESCCCN(C)S(=O)(=O)NC(=O)c1cccn1C1CC1
InChIInChI=1S/C12H19N3O3S/c1-3-8-14(2)19(17,18)13-12(16)11-5-4-9-15(11)10-6-7-10/h4-5,9-10H,3,6-8H2,1-2H3,(H,13,16)
InChIKeyKJQJDNPFFTTWLW-UHFFFAOYSA-N
XLogP1.14
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[methyl(propyl)sulfamoyl]pyrrole-2-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[methyl(propyl)sulfamoyl]pyrrole-2-carboxamide (CID 75499558) is 1-cyclopropyl-N-[methyl(propyl)sulfamoyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[methyl(propyl)sulfamoyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[methyl(propyl)sulfamoyl]pyrrole-2-carboxamide is CCCN(C)S(=O)(=O)NC(=O)c1cccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[methyl(propyl)sulfamoyl]pyrrole-2-carboxamide?
The InChIKey is KJQJDNPFFTTWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-3-8-14(2)19(17,18)13-12(16)11-5-4-9-15(11)10-6-7-10/h4-5,9-10H,3,6-8H2,1-2H3,(H,13,16).
What are the key properties of 1-cyclopropyl-N-[methyl(propyl)sulfamoyl]pyrrole-2-carboxamide?
1-cyclopropyl-N-[methyl(propyl)sulfamoyl]pyrrole-2-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[methyl(propyl)sulfamoyl]pyrrole-2-carboxamide is sourced from PubChem (CID 75499558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).