3-amino-N-(pyridazin-3-ylmethyl)propane-1-sulfonamide

C8H14N4O2S — CID 106895534

IUPAC3-amino-N-(pyridazin-3-ylmethyl)propane-1-sulfonamide
SMILESNCCCS(=O)(=O)NCc1cccnn1
InChIInChI=1S/C8H14N4O2S/c9-4-2-6-15(13,14)11-7-8-3-1-5-10-12-8/h1,3,5,11H,2,4,6-7,9H2
InChIKeyPUZMCIDUIAIYGQ-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.76
Rot. Bonds6

About 3-amino-N-(pyridazin-3-ylmethyl)propane-1-sulfonamide

3-amino-N-(pyridazin-3-ylmethyl)propane-1-sulfonamide (PubChem CID 106895534) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 3-amino-N-(pyridazin-3-ylmethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(pyridazin-3-ylmethyl)propane-1-sulfonamide
PubChem CID106895534
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name3-amino-N-(pyridazin-3-ylmethyl)propane-1-sulfonamide
SMILESNCCCS(=O)(=O)NCc1cccnn1
InChIInChI=1S/C8H14N4O2S/c9-4-2-6-15(13,14)11-7-8-3-1-5-10-12-8/h1,3,5,11H,2,4,6-7,9H2
InChIKeyPUZMCIDUIAIYGQ-UHFFFAOYSA-N
XLogP-0.76
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(pyridazin-3-ylmethyl)propane-1-sulfonamide?
The IUPAC name of 3-amino-N-(pyridazin-3-ylmethyl)propane-1-sulfonamide (CID 106895534) is 3-amino-N-(pyridazin-3-ylmethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-(pyridazin-3-ylmethyl)propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-(pyridazin-3-ylmethyl)propane-1-sulfonamide is NCCCS(=O)(=O)NCc1cccnn1.
What is the InChIKey of 3-amino-N-(pyridazin-3-ylmethyl)propane-1-sulfonamide?
The InChIKey is PUZMCIDUIAIYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c9-4-2-6-15(13,14)11-7-8-3-1-5-10-12-8/h1,3,5,11H,2,4,6-7,9H2.
What are the key properties of 3-amino-N-(pyridazin-3-ylmethyl)propane-1-sulfonamide?
3-amino-N-(pyridazin-3-ylmethyl)propane-1-sulfonamide has a molecular weight of 230.29 g/mol, XLogP of -0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(pyridazin-3-ylmethyl)propane-1-sulfonamide is sourced from PubChem (CID 106895534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).