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

C6H9N3O2S — CID 122480734

IUPAC6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonamide
SMILESNS(=O)(=O)c1cn2c(n1)CCC2
InChIInChI=1S/C6H9N3O2S/c7-12(10,11)6-4-9-3-1-2-5(9)8-6/h4H,1-3H2,(H2,7,10,11)
InChIKeyYQKSSYQFTUUWHD-UHFFFAOYSA-N
MW187.22 g/mol
LogP-0.52
Rot. Bonds1

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

6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonamide (PubChem CID 122480734) 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-2-sulfonamide.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonamide
PubChem CID122480734
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Name6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonamide
SMILESNS(=O)(=O)c1cn2c(n1)CCC2
InChIInChI=1S/C6H9N3O2S/c7-12(10,11)6-4-9-3-1-2-5(9)8-6/h4H,1-3H2,(H2,7,10,11)
InChIKeyYQKSSYQFTUUWHD-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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Related Compounds

1-methyl-1H-imidazole-4-sulfonamide
CID 2736885
1H-Imidazole-4-sulfonamide, 1-(1-methylethyl)-
CID 71757215
5H-Pyrrolo(1,2-a)imidazole-2-thiol, 6,7-dihydro-
CID 3080452
5H-Pyrrolo(1,2-a)imidazole, 6,7-dihydro-2-(methylsulfinyl)-
CID 3080454
5H-Pyrrolo(1,2-a)imidazole, 6,7-dihydro-2-(methylsulfonyl)-
CID 3080455
1,2-dimethyl-1H-imidazole-4-sulfonamide
CID 2758563
1-methyl-1H-imidazole-5-sulfonamide
CID 18971486
5H,6H,7H-pyrrolo[1,2-a]imidazole-3-sulfonyl chloride
CID 44119806
N,N,1-trimethyl-1H-imidazole-4-sulfonamide
CID 47002931
5H,6H,7H-pyrrolo[1,2-a]imidazole-2-sulfonyl chloride
CID 122480749
1-methyl-2-(propan-2-yl)-1H-imidazole-5-sulfonyl chloride
CID 129980896
1-ethyl-2-methyl-1H-imidazole-5-sulfonyl chloride
CID 50987958

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonamide?
The IUPAC name of 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonamide (CID 122480734) is 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonamide.
What is the SMILES notation for 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonamide?
The canonical SMILES for 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonamide is NS(=O)(=O)c1cn2c(n1)CCC2.
What is the InChIKey of 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonamide?
The InChIKey is YQKSSYQFTUUWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c7-12(10,11)6-4-9-3-1-2-5(9)8-6/h4H,1-3H2,(H2,7,10,11).
What are the key properties of 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonamide?
6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-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-2-sulfonamide is sourced from PubChem (CID 122480734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).