[1-(4,5-dimethylpyridazin-3-yl)pyrrolidin-3-yl]methanesulfonamide

C11H18N4O2S — CID 154817601

IUPAC[1-(4,5-dimethylpyridazin-3-yl)pyrrolidin-3-yl]methanesulfonamide
SMILESCc1cnnc(N2CCC(CS(N)(=O)=O)C2)c1C
InChIInChI=1S/C11H18N4O2S/c1-8-5-13-14-11(9(8)2)15-4-3-10(6-15)7-18(12,16)17/h5,10H,3-4,6-7H2,1-2H3,(H2,12,16,17)
InChIKeyWSACHAYXSHSWGA-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.21
Rot. Bonds3

About [1-(4,5-dimethylpyridazin-3-yl)pyrrolidin-3-yl]methanesulfonamide

[1-(4,5-dimethylpyridazin-3-yl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 154817601) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is [1-(4,5-dimethylpyridazin-3-yl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(4,5-dimethylpyridazin-3-yl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID154817601
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name[1-(4,5-dimethylpyridazin-3-yl)pyrrolidin-3-yl]methanesulfonamide
SMILESCc1cnnc(N2CCC(CS(N)(=O)=O)C2)c1C
InChIInChI=1S/C11H18N4O2S/c1-8-5-13-14-11(9(8)2)15-4-3-10(6-15)7-18(12,16)17/h5,10H,3-4,6-7H2,1-2H3,(H2,12,16,17)
InChIKeyWSACHAYXSHSWGA-UHFFFAOYSA-N
XLogP0.21
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4,5-dimethylpyridazin-3-yl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(4,5-dimethylpyridazin-3-yl)pyrrolidin-3-yl]methanesulfonamide (CID 154817601) is [1-(4,5-dimethylpyridazin-3-yl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(4,5-dimethylpyridazin-3-yl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(4,5-dimethylpyridazin-3-yl)pyrrolidin-3-yl]methanesulfonamide is Cc1cnnc(N2CCC(CS(N)(=O)=O)C2)c1C.
What is the InChIKey of [1-(4,5-dimethylpyridazin-3-yl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is WSACHAYXSHSWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-8-5-13-14-11(9(8)2)15-4-3-10(6-15)7-18(12,16)17/h5,10H,3-4,6-7H2,1-2H3,(H2,12,16,17).
What are the key properties of [1-(4,5-dimethylpyridazin-3-yl)pyrrolidin-3-yl]methanesulfonamide?
[1-(4,5-dimethylpyridazin-3-yl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 270.36 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,5-dimethylpyridazin-3-yl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 154817601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).