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

C9H16N4O2S — CID 106895519

IUPAC1-amino-N-(pyridazin-3-ylmethyl)butane-2-sulfonamide
SMILESCCC(CN)S(=O)(=O)NCc1cccnn1
InChIInChI=1S/C9H16N4O2S/c1-2-9(6-10)16(14,15)12-7-8-4-3-5-11-13-8/h3-5,9,12H,2,6-7,10H2,1H3
InChIKeyTZCZFMKHDMIJGQ-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.37
Rot. Bonds6

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

1-amino-N-(pyridazin-3-ylmethyl)butane-2-sulfonamide (PubChem CID 106895519) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 1-amino-N-(pyridazin-3-ylmethyl)butane-2-sulfonamide.

Molecular Properties

Compound Name1-amino-N-(pyridazin-3-ylmethyl)butane-2-sulfonamide
PubChem CID106895519
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name1-amino-N-(pyridazin-3-ylmethyl)butane-2-sulfonamide
SMILESCCC(CN)S(=O)(=O)NCc1cccnn1
InChIInChI=1S/C9H16N4O2S/c1-2-9(6-10)16(14,15)12-7-8-4-3-5-11-13-8/h3-5,9,12H,2,6-7,10H2,1H3
InChIKeyTZCZFMKHDMIJGQ-UHFFFAOYSA-N
XLogP-0.37
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.37
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)butane-2-sulfonamide?
The IUPAC name of 1-amino-N-(pyridazin-3-ylmethyl)butane-2-sulfonamide (CID 106895519) is 1-amino-N-(pyridazin-3-ylmethyl)butane-2-sulfonamide.
What is the SMILES notation for 1-amino-N-(pyridazin-3-ylmethyl)butane-2-sulfonamide?
The canonical SMILES for 1-amino-N-(pyridazin-3-ylmethyl)butane-2-sulfonamide is CCC(CN)S(=O)(=O)NCc1cccnn1.
What is the InChIKey of 1-amino-N-(pyridazin-3-ylmethyl)butane-2-sulfonamide?
The InChIKey is TZCZFMKHDMIJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-2-9(6-10)16(14,15)12-7-8-4-3-5-11-13-8/h3-5,9,12H,2,6-7,10H2,1H3.
What are the key properties of 1-amino-N-(pyridazin-3-ylmethyl)butane-2-sulfonamide?
1-amino-N-(pyridazin-3-ylmethyl)butane-2-sulfonamide has a molecular weight of 244.32 g/mol, XLogP of -0.37, 6 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)butane-2-sulfonamide is sourced from PubChem (CID 106895519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).