N-methyl-N-[2-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-oxoethyl]methanesulfonamide

C14H22N4O4S — CID 90559659

IUPACN-methyl-N-[2-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-oxoethyl]methanesulfonamide
SMILESCc1ccc(OC2CCN(C(=O)CN(C)S(C)(=O)=O)CC2)nn1
InChIInChI=1S/C14H22N4O4S/c1-11-4-5-13(16-15-11)22-12-6-8-18(9-7-12)14(19)10-17(2)23(3,20)21/h4-5,12H,6-10H2,1-3H3
InChIKeyQLSKJHSORRFMBP-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.05
Rot. Bonds5

About N-methyl-N-[2-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-oxoethyl]methanesulfonamide

N-methyl-N-[2-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-oxoethyl]methanesulfonamide (PubChem CID 90559659) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-methyl-N-[2-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-oxoethyl]methanesulfonamide
PubChem CID90559659
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC NameN-methyl-N-[2-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-oxoethyl]methanesulfonamide
SMILESCc1ccc(OC2CCN(C(=O)CN(C)S(C)(=O)=O)CC2)nn1
InChIInChI=1S/C14H22N4O4S/c1-11-4-5-13(16-15-11)22-12-6-8-18(9-7-12)14(19)10-17(2)23(3,20)21/h4-5,12H,6-10H2,1-3H3
InChIKeyQLSKJHSORRFMBP-UHFFFAOYSA-N
XLogP0.05
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[2-oxo-2-(4-pyrimidin-4-yloxypiperidin-1-yl)ethyl]methanesulfonamide
CID 121162017
1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-(4-phenylphenyl)ethanone
CID 90559617
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
CID 90559656
[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-phenylmethanone
CID 72717309
N-methyl-N-[2-oxo-2-(3-pyridazin-3-yloxypiperidin-1-yl)ethyl]methanesulfonamide
CID 91627690
2-ethoxy-1-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]ethanone
CID 91627331
[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 100626916
(2-methylphenyl)-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 90559517
N-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 122260395
1-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]pent-4-en-1-one
CID 90638608
(2R)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylbutan-1-one
CID 97427079
N-[2-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 71878440

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-oxoethyl]methanesulfonamide (CID 90559659) is N-methyl-N-[2-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-oxoethyl]methanesulfonamide is Cc1ccc(OC2CCN(C(=O)CN(C)S(C)(=O)=O)CC2)nn1.
What is the InChIKey of N-methyl-N-[2-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-oxoethyl]methanesulfonamide?
The InChIKey is QLSKJHSORRFMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4S/c1-11-4-5-13(16-15-11)22-12-6-8-18(9-7-12)14(19)10-17(2)23(3,20)21/h4-5,12H,6-10H2,1-3H3.
What are the key properties of N-methyl-N-[2-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-oxoethyl]methanesulfonamide?
N-methyl-N-[2-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-oxoethyl]methanesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 0.05, 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-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 90559659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).