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

C15H23N5O2S — CID 126918555

IUPACN-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NCC1CN(c2cc3c(nn2)CCC3)C1)N1CCCC1
InChIInChI=1S/C15H23N5O2S/c21-23(22,20-6-1-2-7-20)16-9-12-10-19(11-12)15-8-13-4-3-5-14(13)17-18-15/h8,12,16H,1-7,9-11H2
InChIKeySTJBQCYPTKIFNX-UHFFFAOYSA-N
MW337.45 g/mol
LogP0.33
Rot. Bonds5

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

N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide (PubChem CID 126918555) has the molecular formula C15H23N5O2S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide
PubChem CID126918555
Molecular FormulaC15H23N5O2S
Molecular Weight337.45 g/mol
Exact Mass337.16
IUPAC NameN-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NCC1CN(c2cc3c(nn2)CCC3)C1)N1CCCC1
InChIInChI=1S/C15H23N5O2S/c21-23(22,20-6-1-2-7-20)16-9-12-10-19(11-12)15-8-13-4-3-5-14(13)17-18-15/h8,12,16H,1-7,9-11H2
InChIKeySTJBQCYPTKIFNX-UHFFFAOYSA-N
XLogP0.33
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]azepane-1-sulfonamide
CID 126918618
N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-sulfonamide
CID 126918560
N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide
CID 126916696
3-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]-1-methylsulfonylpyrrolidin-3-ol
CID 126918714
1-cyclopropyl-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]methanamine
CID 126919333
2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]cyclopentan-1-ol
CID 126918719
2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methylamino]cyclobutan-1-ol
CID 126919448
N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-5-methylpyrimidin-2-amine
CID 126918682
6-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]-1,4-dioxepan-6-ol
CID 126918720
N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]pyrazin-2-amine
CID 126918562
1-[3-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]-3-hydroxypiperidin-1-yl]ethanone
CID 126918712
N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine
CID 126919393

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide (CID 126918555) is N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide is O=S(=O)(NCC1CN(c2cc3c(nn2)CCC3)C1)N1CCCC1.
What is the InChIKey of N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide?
The InChIKey is STJBQCYPTKIFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2S/c21-23(22,20-6-1-2-7-20)16-9-12-10-19(11-12)15-8-13-4-3-5-14(13)17-18-15/h8,12,16H,1-7,9-11H2.
What are the key properties of N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide?
N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide has a molecular weight of 337.45 g/mol, XLogP of 0.33, 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]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 126918555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).