N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]methanesulfonamide

C11H13N3O3S2 — CID 16905750

IUPACN-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCn1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C11H13N3O3S2/c1-19(16,17)12-6-7-14-11(15)5-4-9(13-14)10-3-2-8-18-10/h2-5,8,12H,6-7H2,1H3
InChIKeyBIKDFLLXQPNNCU-UHFFFAOYSA-N
MW299.38 g/mol
LogP0.52
Rot. Bonds5

About N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]methanesulfonamide

N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]methanesulfonamide (PubChem CID 16905750) has the molecular formula C11H13N3O3S2 and a molecular weight of 299.38 g/mol. Its IUPAC name is N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]methanesulfonamide
PubChem CID16905750
Molecular FormulaC11H13N3O3S2
Molecular Weight299.38 g/mol
Exact Mass299.04
IUPAC NameN-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCn1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C11H13N3O3S2/c1-19(16,17)12-6-7-14-11(15)5-4-9(13-14)10-3-2-8-18-10/h2-5,8,12H,6-7H2,1H3
InChIKeyBIKDFLLXQPNNCU-UHFFFAOYSA-N
XLogP0.52
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]methanesulfonamide (CID 16905750) is N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]methanesulfonamide is CS(=O)(=O)NCCn1nc(-c2cccs2)ccc1=O.
What is the InChIKey of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]methanesulfonamide?
The InChIKey is BIKDFLLXQPNNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S2/c1-19(16,17)12-6-7-14-11(15)5-4-9(13-14)10-3-2-8-18-10/h2-5,8,12H,6-7H2,1H3.
What are the key properties of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]methanesulfonamide?
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]methanesulfonamide has a molecular weight of 299.38 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 16905750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).