[(3R)-1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]methanesulfonamide

C13H19N5O2S — CID 95623005

IUPAC[(3R)-1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]methanesulfonamide
SMILESCc1nnc(N2CCC[C@@H](CS(N)(=O)=O)C2)c(C#N)c1C
InChIInChI=1S/C13H19N5O2S/c1-9-10(2)16-17-13(12(9)6-14)18-5-3-4-11(7-18)8-21(15,19)20/h11H,3-5,7-8H2,1-2H3,(H2,15,19,20)/t11-/m1/s1
InChIKeyUOXHXLZYSLGPQP-LLVKDONJSA-N
MW309.40 g/mol
LogP0.47
Rot. Bonds3

About [(3R)-1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]methanesulfonamide

[(3R)-1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]methanesulfonamide (PubChem CID 95623005) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is [(3R)-1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[(3R)-1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]methanesulfonamide
PubChem CID95623005
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name[(3R)-1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]methanesulfonamide
SMILESCc1nnc(N2CCC[C@@H](CS(N)(=O)=O)C2)c(C#N)c1C
InChIInChI=1S/C13H19N5O2S/c1-9-10(2)16-17-13(12(9)6-14)18-5-3-4-11(7-18)8-21(15,19)20/h11H,3-5,7-8H2,1-2H3,(H2,15,19,20)/t11-/m1/s1
InChIKeyUOXHXLZYSLGPQP-LLVKDONJSA-N
XLogP0.47
TPSA112.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(dimethylamino)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 63091576
5,6-dimethyl-3-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridazine-4-carbonitrile
CID 95590461
5,6-dimethyl-3-(4-methylsulfonylpiperazin-1-yl)pyridazine-4-carbonitrile
CID 36615863
[3-(3-ethylpiperidin-1-yl)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61096215
3-[4-(2-aminoethyl)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 80515197
methyl 2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]-2-methylpropanoate
CID 133444578
3-[2-(aminomethyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 114399299
3-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 133338628
3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
CID 103533404
3-[(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 124882909
5,6-dimethyl-3-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile
CID 95766144
3-[2-(hydroxymethyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 79839253

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of [(3R)-1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]methanesulfonamide (CID 95623005) is [(3R)-1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for [(3R)-1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for [(3R)-1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]methanesulfonamide is Cc1nnc(N2CCC[C@@H](CS(N)(=O)=O)C2)c(C#N)c1C.
What is the InChIKey of [(3R)-1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]methanesulfonamide?
The InChIKey is UOXHXLZYSLGPQP-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-9-10(2)16-17-13(12(9)6-14)18-5-3-4-11(7-18)8-21(15,19)20/h11H,3-5,7-8H2,1-2H3,(H2,15,19,20)/t11-/m1/s1.
What are the key properties of [(3R)-1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]methanesulfonamide?
[(3R)-1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]methanesulfonamide has a molecular weight of 309.40 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 95623005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).