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

C13H19N5O2S — CID 56805197

IUPAC[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]methanesulfonamide
SMILESCc1nnc(N2CCCC(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)
InChIKeyUOXHXLZYSLGPQP-UHFFFAOYSA-N
MW309.40 g/mol
LogP0.47
Rot. Bonds3

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

[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]methanesulfonamide (PubChem CID 56805197) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is [1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]methanesulfonamide
PubChem CID56805197
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]methanesulfonamide
SMILESCc1nnc(N2CCCC(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)
InChIKeyUOXHXLZYSLGPQP-UHFFFAOYSA-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

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CID 45813705
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CID 47054754
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CID 56805190
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CID 56817331
CID 56817331
CID 31535189
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CID 75432971
CID 75432971
CID 84586807
CID 84586807
CID 93560054
CID 93560054
CID 164631886
CID 164631886
CID 47151224
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CID 65537046
CID 65537046

Frequently Asked Questions

What is the IUPAC name of [1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]methanesulfonamide (CID 56805197) is [1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]methanesulfonamide is Cc1nnc(N2CCCC(CS(N)(=O)=O)C2)c(C#N)c1C.
What is the InChIKey of [1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]methanesulfonamide?
The InChIKey is UOXHXLZYSLGPQP-UHFFFAOYSA-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).
What are the key properties of [1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]methanesulfonamide?
[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 [1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 56805197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).