N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-sulfonamide

C14H18N6O2S — CID 126918560

About N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-sulfonamide

N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-sulfonamide (PubChem CID 126918560) has the molecular formula C14H18N6O2S and a molecular weight of 334.41 g/mol. Its IUPAC name is N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

• Compound Name: N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-sulfonamide
• PubChem CID: 126918560
• Molecular Formula: C14H18N6O2S
• Molecular Weight: 334.41 g/mol
• Exact Mass: 334.12
• IUPAC Name: N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-sulfonamide
• SMILES: O=S(=O)(NCC1CN(c2cc3c(nn2)CCC3)C1)c1cnc[nH]1
• InChI: InChI=1S/C14H18N6O2S/c21-23(22,14-6-15-9-16-14)17-5-10-7-20(8-10)13-4-11-2-1-3-12(11)18-19-13/h4,6,9-10,17H,1-3,5,7-8H2,(H,15,16)
• InChIKey: BFEGHVHZCSQLFN-UHFFFAOYSA-N
• XLogP: 0.10
• TPSA: 103.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.41
LogP ≤ 5	0.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-sulfonamide?

The IUPAC name of N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-sulfonamide (CID 126918560) is N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-sulfonamide.

What is the SMILES notation for N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-sulfonamide?

The canonical SMILES for N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-sulfonamide is O=S(=O)(NCC1CN(c2cc3c(nn2)CCC3)C1)c1cnc[nH]1.

What is the InChIKey of N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-sulfonamide?

The InChIKey is BFEGHVHZCSQLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2S/c21-23(22,14-6-15-9-16-14)17-5-10-7-20(8-10)13-4-11-2-1-3-12(11)18-19-13/h4,6,9-10,17H,1-3,5,7-8H2,(H,15,16).

What are the key properties of N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-sulfonamide?

N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-sulfonamide has a molecular weight of 334.41 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 126918560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).