N-[[1-(5,6-dimethylpyridazin-3-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide

C14H24N4O2S — CID 171691557

IUPACN-[[1-(5,6-dimethylpyridazin-3-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide
SMILESCc1cc(N2CCC(CN(C)S(C)(=O)=O)CC2)nnc1C
InChIInChI=1S/C14H24N4O2S/c1-11-9-14(16-15-12(11)2)18-7-5-13(6-8-18)10-17(3)21(4,19)20/h9,13H,5-8,10H2,1-4H3
InChIKeyUQGFQGAULYDWGK-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.20
Rot. Bonds4

About N-[[1-(5,6-dimethylpyridazin-3-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide

N-[[1-(5,6-dimethylpyridazin-3-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide (PubChem CID 171691557) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[[1-(5,6-dimethylpyridazin-3-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[[1-(5,6-dimethylpyridazin-3-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide
PubChem CID171691557
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC NameN-[[1-(5,6-dimethylpyridazin-3-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide
SMILESCc1cc(N2CCC(CN(C)S(C)(=O)=O)CC2)nnc1C
InChIInChI=1S/C14H24N4O2S/c1-11-9-14(16-15-12(11)2)18-7-5-13(6-8-18)10-17(3)21(4,19)20/h9,13H,5-8,10H2,1-4H3
InChIKeyUQGFQGAULYDWGK-UHFFFAOYSA-N
XLogP1.20
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(5,6-dimethylpyridazin-3-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[[1-(5,6-dimethylpyridazin-3-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide (CID 171691557) is N-[[1-(5,6-dimethylpyridazin-3-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[[1-(5,6-dimethylpyridazin-3-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[[1-(5,6-dimethylpyridazin-3-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide is Cc1cc(N2CCC(CN(C)S(C)(=O)=O)CC2)nnc1C.
What is the InChIKey of N-[[1-(5,6-dimethylpyridazin-3-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide?
The InChIKey is UQGFQGAULYDWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-11-9-14(16-15-12(11)2)18-7-5-13(6-8-18)10-17(3)21(4,19)20/h9,13H,5-8,10H2,1-4H3.
What are the key properties of N-[[1-(5,6-dimethylpyridazin-3-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide?
N-[[1-(5,6-dimethylpyridazin-3-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5,6-dimethylpyridazin-3-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 171691557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).