2-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]-N-(cyclobutylmethyl)ethanesulfonamide

C14H21N5O2S — CID 133295855

IUPAC2-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]-N-(cyclobutylmethyl)ethanesulfonamide
SMILESCc1nnc(NCCS(=O)(=O)NCC2CCC2)c(C#N)c1C
InChIInChI=1S/C14H21N5O2S/c1-10-11(2)18-19-14(13(10)8-15)16-6-7-22(20,21)17-9-12-4-3-5-12/h12,17H,3-7,9H2,1-2H3,(H,16,19)
InChIKeyWUHRHUKNHIQLMT-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.10
Rot. Bonds7

About 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]-N-(cyclobutylmethyl)ethanesulfonamide

2-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]-N-(cyclobutylmethyl)ethanesulfonamide (PubChem CID 133295855) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]-N-(cyclobutylmethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]-N-(cyclobutylmethyl)ethanesulfonamide
PubChem CID133295855
Molecular FormulaC14H21N5O2S
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC Name2-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]-N-(cyclobutylmethyl)ethanesulfonamide
SMILESCc1nnc(NCCS(=O)(=O)NCC2CCC2)c(C#N)c1C
InChIInChI=1S/C14H21N5O2S/c1-10-11(2)18-19-14(13(10)8-15)16-6-7-22(20,21)17-9-12-4-3-5-12/h12,17H,3-7,9H2,1-2H3,(H,16,19)
InChIKeyWUHRHUKNHIQLMT-UHFFFAOYSA-N
XLogP1.10
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]-N-(cyclobutylmethyl)ethanesulfonamide?
The IUPAC name of 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]-N-(cyclobutylmethyl)ethanesulfonamide (CID 133295855) is 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]-N-(cyclobutylmethyl)ethanesulfonamide.
What is the SMILES notation for 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]-N-(cyclobutylmethyl)ethanesulfonamide?
The canonical SMILES for 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]-N-(cyclobutylmethyl)ethanesulfonamide is Cc1nnc(NCCS(=O)(=O)NCC2CCC2)c(C#N)c1C.
What is the InChIKey of 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]-N-(cyclobutylmethyl)ethanesulfonamide?
The InChIKey is WUHRHUKNHIQLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2S/c1-10-11(2)18-19-14(13(10)8-15)16-6-7-22(20,21)17-9-12-4-3-5-12/h12,17H,3-7,9H2,1-2H3,(H,16,19).
What are the key properties of 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]-N-(cyclobutylmethyl)ethanesulfonamide?
2-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]-N-(cyclobutylmethyl)ethanesulfonamide has a molecular weight of 323.42 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]-N-(cyclobutylmethyl)ethanesulfonamide is sourced from PubChem (CID 133295855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).