(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-pyridazin-4-ylmethanone

C14H20N4O3S — CID 118739245

IUPAC(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-pyridazin-4-ylmethanone
SMILESCS(=O)(=O)N1CCCC12CCCN(C(=O)c1ccnnc1)C2
InChIInChI=1S/C14H20N4O3S/c1-22(20,21)18-9-3-6-14(18)5-2-8-17(11-14)13(19)12-4-7-15-16-10-12/h4,7,10H,2-3,5-6,8-9,11H2,1H3
InChIKeyDJUHUHLRHCXIOV-UHFFFAOYSA-N
MW324.41 g/mol
LogP0.51
Rot. Bonds2

About (1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-pyridazin-4-ylmethanone

(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-pyridazin-4-ylmethanone (PubChem CID 118739245) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is (1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-pyridazin-4-ylmethanone
PubChem CID118739245
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC Name(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-pyridazin-4-ylmethanone
SMILESCS(=O)(=O)N1CCCC12CCCN(C(=O)c1ccnnc1)C2
InChIInChI=1S/C14H20N4O3S/c1-22(20,21)18-9-3-6-14(18)5-2-8-17(11-14)13(19)12-4-7-15-16-10-12/h4,7,10H,2-3,5-6,8-9,11H2,1H3
InChIKeyDJUHUHLRHCXIOV-UHFFFAOYSA-N
XLogP0.51
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-pyridazin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chlorophenyl)-[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]methanone
CID 97393507
[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(4-propylphenyl)methanone
CID 97393532
(5-methyl-1,2-oxazol-4-yl)-[(5R)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]methanone
CID 97393555
1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone
CID 131662776
[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(thiadiazol-4-yl)methanone
CID 97482260
(3-methyl-1,2-oxazol-4-yl)-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)methanone
CID 134074824
(4-hydroxy-4-methylazepan-1-yl)-pyridazin-4-ylmethanone
CID 107405992
(2-methylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl)-pyridin-3-ylmethanone
CID 131638627
furan-2-yl-(6-methylsulfonyl-2,6-diazaspiro[4.5]decan-2-yl)methanone
CID 134074747
2-methoxy-1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone
CID 131641583
2-phenyl-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131638499
(3-hydroxy-3-methylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 115875110

Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-pyridazin-4-ylmethanone?
The IUPAC name of (1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-pyridazin-4-ylmethanone (CID 118739245) is (1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-pyridazin-4-ylmethanone.
What is the SMILES notation for (1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-pyridazin-4-ylmethanone?
The canonical SMILES for (1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-pyridazin-4-ylmethanone is CS(=O)(=O)N1CCCC12CCCN(C(=O)c1ccnnc1)C2.
What is the InChIKey of (1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-pyridazin-4-ylmethanone?
The InChIKey is DJUHUHLRHCXIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-22(20,21)18-9-3-6-14(18)5-2-8-17(11-14)13(19)12-4-7-15-16-10-12/h4,7,10H,2-3,5-6,8-9,11H2,1H3.
What are the key properties of (1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-pyridazin-4-ylmethanone?
(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-pyridazin-4-ylmethanone has a molecular weight of 324.41 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-pyridazin-4-ylmethanone is sourced from PubChem (CID 118739245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).