6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide

C6H9N3O2S — CID 75469683

IUPAC6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide
SMILESNS(=O)(=O)c1cnc2n1CCC2
InChIInChI=1S/C6H9N3O2S/c7-12(10,11)6-4-8-5-2-1-3-9(5)6/h4H,1-3H2,(H2,7,10,11)
InChIKeySIAJGWILHWNWCO-UHFFFAOYSA-N
MW187.22 g/mol
LogP-0.52
Rot. Bonds1

About 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide

6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide (PubChem CID 75469683) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide
PubChem CID75469683
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Name6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide
SMILESNS(=O)(=O)c1cnc2n1CCC2
InChIInChI=1S/C6H9N3O2S/c7-12(10,11)6-4-8-5-2-1-3-9(5)6/h4H,1-3H2,(H2,7,10,11)
InChIKeySIAJGWILHWNWCO-UHFFFAOYSA-N
XLogP-0.52
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide?
The IUPAC name of 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide (CID 75469683) is 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide.
What is the SMILES notation for 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide?
The canonical SMILES for 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide is NS(=O)(=O)c1cnc2n1CCC2.
What is the InChIKey of 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide?
The InChIKey is SIAJGWILHWNWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c7-12(10,11)6-4-8-5-2-1-3-9(5)6/h4H,1-3H2,(H2,7,10,11).
What are the key properties of 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide?
6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide has a molecular weight of 187.22 g/mol, XLogP of -0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide is sourced from PubChem (CID 75469683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).