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

C17H27N5O2S — CID 126918618

IUPACN-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]azepane-1-sulfonamide
SMILESO=S(=O)(NCC1CN(c2cc3c(nn2)CCC3)C1)N1CCCCCC1
InChIInChI=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
InChIKeyCRDLQFZOTHLMPM-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.11
Rot. Bonds5

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 NameN-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]azepane-1-sulfonamide
PubChem CID126918618
Molecular FormulaC17H27N5O2S
Molecular Weight365.50 g/mol
Exact Mass365.19
IUPAC NameN-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]azepane-1-sulfonamide
SMILESO=S(=O)(NCC1CN(c2cc3c(nn2)CCC3)C1)N1CCCCCC1
InChIInChI=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
InChIKeyCRDLQFZOTHLMPM-UHFFFAOYSA-N
XLogP1.11
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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]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).