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

C14H18N6O2S — CID 126918560

IUPACN-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-sulfonamide
SMILESO=S(=O)(NCC1CN(c2cc3c(nn2)CCC3)C1)c1cnc[nH]1
InChIInChI=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)
InChIKeyBFEGHVHZCSQLFN-UHFFFAOYSA-N
MW334.41 g/mol
LogP0.10
Rot. Bonds5

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 NameN-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-sulfonamide
PubChem CID126918560
Molecular FormulaC14H18N6O2S
Molecular Weight334.41 g/mol
Exact Mass334.12
IUPAC NameN-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-sulfonamide
SMILESO=S(=O)(NCC1CN(c2cc3c(nn2)CCC3)C1)c1cnc[nH]1
InChIInChI=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)
InChIKeyBFEGHVHZCSQLFN-UHFFFAOYSA-N
XLogP0.10
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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).