2-amino-N-(pyridazin-3-ylmethyl)ethanesulfonamide

C7H12N4O2S — CID 106895516

IUPAC2-amino-N-(pyridazin-3-ylmethyl)ethanesulfonamide
SMILESNCCS(=O)(=O)NCc1cccnn1
InChIInChI=1S/C7H12N4O2S/c8-3-5-14(12,13)10-6-7-2-1-4-9-11-7/h1-2,4,10H,3,5-6,8H2
InChIKeyYPWNBXBEFBTZEQ-UHFFFAOYSA-N
MW216.27 g/mol
LogP-1.15
Rot. Bonds5

About 2-amino-N-(pyridazin-3-ylmethyl)ethanesulfonamide

2-amino-N-(pyridazin-3-ylmethyl)ethanesulfonamide (PubChem CID 106895516) has the molecular formula C7H12N4O2S and a molecular weight of 216.27 g/mol. Its IUPAC name is 2-amino-N-(pyridazin-3-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(pyridazin-3-ylmethyl)ethanesulfonamide
PubChem CID106895516
Molecular FormulaC7H12N4O2S
Molecular Weight216.27 g/mol
Exact Mass216.07
IUPAC Name2-amino-N-(pyridazin-3-ylmethyl)ethanesulfonamide
SMILESNCCS(=O)(=O)NCc1cccnn1
InChIInChI=1S/C7H12N4O2S/c8-3-5-14(12,13)10-6-7-2-1-4-9-11-7/h1-2,4,10H,3,5-6,8H2
InChIKeyYPWNBXBEFBTZEQ-UHFFFAOYSA-N
XLogP-1.15
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(pyridazin-3-ylmethyl)ethanesulfonamide?
The IUPAC name of 2-amino-N-(pyridazin-3-ylmethyl)ethanesulfonamide (CID 106895516) is 2-amino-N-(pyridazin-3-ylmethyl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-(pyridazin-3-ylmethyl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-(pyridazin-3-ylmethyl)ethanesulfonamide is NCCS(=O)(=O)NCc1cccnn1.
What is the InChIKey of 2-amino-N-(pyridazin-3-ylmethyl)ethanesulfonamide?
The InChIKey is YPWNBXBEFBTZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2S/c8-3-5-14(12,13)10-6-7-2-1-4-9-11-7/h1-2,4,10H,3,5-6,8H2.
What are the key properties of 2-amino-N-(pyridazin-3-ylmethyl)ethanesulfonamide?
2-amino-N-(pyridazin-3-ylmethyl)ethanesulfonamide has a molecular weight of 216.27 g/mol, XLogP of -1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(pyridazin-3-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 106895516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).