N-methyl-N-[2-oxo-2-(3-pyridazin-3-yloxypiperidin-1-yl)ethyl]methanesulfonamide

C13H20N4O4S — CID 91627690

IUPACN-methyl-N-[2-oxo-2-(3-pyridazin-3-yloxypiperidin-1-yl)ethyl]methanesulfonamide
SMILESCN(CC(=O)N1CCCC(Oc2cccnn2)C1)S(C)(=O)=O
InChIInChI=1S/C13H20N4O4S/c1-16(22(2,19)20)10-13(18)17-8-4-5-11(9-17)21-12-6-3-7-14-15-12/h3,6-7,11H,4-5,8-10H2,1-2H3
InChIKeyDBJNPAMOCHKZFX-UHFFFAOYSA-N
MW328.39 g/mol
LogP-0.26
Rot. Bonds5

About N-methyl-N-[2-oxo-2-(3-pyridazin-3-yloxypiperidin-1-yl)ethyl]methanesulfonamide

N-methyl-N-[2-oxo-2-(3-pyridazin-3-yloxypiperidin-1-yl)ethyl]methanesulfonamide (PubChem CID 91627690) has the molecular formula C13H20N4O4S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-(3-pyridazin-3-yloxypiperidin-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-(3-pyridazin-3-yloxypiperidin-1-yl)ethyl]methanesulfonamide
PubChem CID91627690
Molecular FormulaC13H20N4O4S
Molecular Weight328.39 g/mol
Exact Mass328.12
IUPAC NameN-methyl-N-[2-oxo-2-(3-pyridazin-3-yloxypiperidin-1-yl)ethyl]methanesulfonamide
SMILESCN(CC(=O)N1CCCC(Oc2cccnn2)C1)S(C)(=O)=O
InChIInChI=1S/C13H20N4O4S/c1-16(22(2,19)20)10-13(18)17-8-4-5-11(9-17)21-12-6-3-7-14-15-12/h3,6-7,11H,4-5,8-10H2,1-2H3
InChIKeyDBJNPAMOCHKZFX-UHFFFAOYSA-N
XLogP-0.26
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopentyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone
CID 100638394
N-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 122260395
1-(3-pyridazin-3-yloxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 91627703
2-(benzimidazol-1-yl)-1-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone
CID 100637947
2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone
CID 91627663
1-[4-[(3R)-3-pyridazin-3-yloxypiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 100638372
(4-methylphenyl)-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100638429
1-[3-oxo-3-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]propyl]pyrimidine-2,4-dione
CID 100638229
1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638196
N-methyl-N-[2-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 90559659
furan-3-yl-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100639672
3-cyclopentyl-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one
CID 100620918

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-(3-pyridazin-3-yloxypiperidin-1-yl)ethyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-oxo-2-(3-pyridazin-3-yloxypiperidin-1-yl)ethyl]methanesulfonamide (CID 91627690) is N-methyl-N-[2-oxo-2-(3-pyridazin-3-yloxypiperidin-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-(3-pyridazin-3-yloxypiperidin-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-(3-pyridazin-3-yloxypiperidin-1-yl)ethyl]methanesulfonamide is CN(CC(=O)N1CCCC(Oc2cccnn2)C1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[2-oxo-2-(3-pyridazin-3-yloxypiperidin-1-yl)ethyl]methanesulfonamide?
The InChIKey is DBJNPAMOCHKZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4S/c1-16(22(2,19)20)10-13(18)17-8-4-5-11(9-17)21-12-6-3-7-14-15-12/h3,6-7,11H,4-5,8-10H2,1-2H3.
What are the key properties of N-methyl-N-[2-oxo-2-(3-pyridazin-3-yloxypiperidin-1-yl)ethyl]methanesulfonamide?
N-methyl-N-[2-oxo-2-(3-pyridazin-3-yloxypiperidin-1-yl)ethyl]methanesulfonamide has a molecular weight of 328.39 g/mol, XLogP of -0.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-(3-pyridazin-3-yloxypiperidin-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 91627690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).