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

C17H27N5O2S — CID 126918618

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

N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]azepane-1-sulfonamide (PubChem CID 126918618) has the molecular formula C17H27N5O2S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]azepane-1-sulfonamide.

Molecular Properties

• Compound Name: N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]azepane-1-sulfonamide
• PubChem CID: 126918618
• Molecular Formula: C17H27N5O2S
• Molecular Weight: 365.50 g/mol
• Exact Mass: 365.19
• IUPAC Name: N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]azepane-1-sulfonamide
• SMILES: O=S(=O)(NCC1CN(c2cc3c(nn2)CCC3)C1)N1CCCCCC1
• InChI: InChI=1S/C17H27N5O2S/c23-25(24,22-8-3-1-2-4-9-22)18-11-14-12-21(13-14)17-10-15-6-5-7-16(15)19-20-17/h10,14,18H,1-9,11-13H2
• InChIKey: CRDLQFZOTHLMPM-UHFFFAOYSA-N
• XLogP: 1.11
• TPSA: 78.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.50
LogP ≤ 5	1.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]azepane-1-sulfonamide (CID 126918618) is N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]azepane-1-sulfonamide.

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

The canonical SMILES for N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]azepane-1-sulfonamide is O=S(=O)(NCC1CN(c2cc3c(nn2)CCC3)C1)N1CCCCCC1.

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

The InChIKey is CRDLQFZOTHLMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2S/c23-25(24,22-8-3-1-2-4-9-22)18-11-14-12-21(13-14)17-10-15-6-5-7-16(15)19-20-17/h10,14,18H,1-9,11-13H2.

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

N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]azepane-1-sulfonamide has a molecular weight of 365.50 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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]azepane-1-sulfonamide is sourced from PubChem (CID 126918618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).