1-amino-N-(pyridazin-3-ylmethyl)propane-2-sulfonamide

C8H14N4O2S — CID 106895527

IUPAC1-amino-N-(pyridazin-3-ylmethyl)propane-2-sulfonamide
SMILESCC(CN)S(=O)(=O)NCc1cccnn1
InChIInChI=1S/C8H14N4O2S/c1-7(5-9)15(13,14)11-6-8-3-2-4-10-12-8/h2-4,7,11H,5-6,9H2,1H3
InChIKeyWNTJCPCMQWATBX-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.76
Rot. Bonds5

About 1-amino-N-(pyridazin-3-ylmethyl)propane-2-sulfonamide

1-amino-N-(pyridazin-3-ylmethyl)propane-2-sulfonamide (PubChem CID 106895527) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 1-amino-N-(pyridazin-3-ylmethyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-amino-N-(pyridazin-3-ylmethyl)propane-2-sulfonamide
PubChem CID106895527
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name1-amino-N-(pyridazin-3-ylmethyl)propane-2-sulfonamide
SMILESCC(CN)S(=O)(=O)NCc1cccnn1
InChIInChI=1S/C8H14N4O2S/c1-7(5-9)15(13,14)11-6-8-3-2-4-10-12-8/h2-4,7,11H,5-6,9H2,1H3
InChIKeyWNTJCPCMQWATBX-UHFFFAOYSA-N
XLogP-0.76
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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 1-amino-N-(pyridazin-3-ylmethyl)propane-2-sulfonamide?
The IUPAC name of 1-amino-N-(pyridazin-3-ylmethyl)propane-2-sulfonamide (CID 106895527) is 1-amino-N-(pyridazin-3-ylmethyl)propane-2-sulfonamide.
What is the SMILES notation for 1-amino-N-(pyridazin-3-ylmethyl)propane-2-sulfonamide?
The canonical SMILES for 1-amino-N-(pyridazin-3-ylmethyl)propane-2-sulfonamide is CC(CN)S(=O)(=O)NCc1cccnn1.
What is the InChIKey of 1-amino-N-(pyridazin-3-ylmethyl)propane-2-sulfonamide?
The InChIKey is WNTJCPCMQWATBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-7(5-9)15(13,14)11-6-8-3-2-4-10-12-8/h2-4,7,11H,5-6,9H2,1H3.
What are the key properties of 1-amino-N-(pyridazin-3-ylmethyl)propane-2-sulfonamide?
1-amino-N-(pyridazin-3-ylmethyl)propane-2-sulfonamide has a molecular weight of 230.29 g/mol, XLogP of -0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(pyridazin-3-ylmethyl)propane-2-sulfonamide is sourced from PubChem (CID 106895527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).