4-(5-bromopyridazin-3-yl)thiane 1,1-dioxide

C9H11BrN2O2S — CID 117105155

IUPAC4-(5-bromopyridazin-3-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(c2cc(Br)cnn2)CC1
InChIInChI=1S/C9H11BrN2O2S/c10-8-5-9(12-11-6-8)7-1-3-15(13,14)4-2-7/h5-7H,1-4H2
InChIKeyIESAMMMXQVYSCU-UHFFFAOYSA-N
MW291.17 g/mol
LogP1.53
Rot. Bonds1

About 4-(5-bromopyridazin-3-yl)thiane 1,1-dioxide

4-(5-bromopyridazin-3-yl)thiane 1,1-dioxide (PubChem CID 117105155) has the molecular formula C9H11BrN2O2S and a molecular weight of 291.17 g/mol. Its IUPAC name is 4-(5-bromopyridazin-3-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(5-bromopyridazin-3-yl)thiane 1,1-dioxide
PubChem CID117105155
Molecular FormulaC9H11BrN2O2S
Molecular Weight291.17 g/mol
Exact Mass289.97
IUPAC Name4-(5-bromopyridazin-3-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(c2cc(Br)cnn2)CC1
InChIInChI=1S/C9H11BrN2O2S/c10-8-5-9(12-11-6-8)7-1-3-15(13,14)4-2-7/h5-7H,1-4H2
InChIKeyIESAMMMXQVYSCU-UHFFFAOYSA-N
XLogP1.53
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(5-bromopyridazin-3-yl)thiane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Pyridazin-3-ylthiolane 1,1-dioxide
CID 117105006
3-(5-Bromopyridazin-3-yl)thiolane 1,1-dioxide
CID 117105018
5-Bromo-3-(thiolan-3-yl)pyridazine
CID 117105034
4-Pyridazin-3-ylthiane 1,1-dioxide
CID 117105143
6-(1,1-Dioxothian-4-yl)pyridazin-4-amine
CID 117105147
4-(5-Chloropyridazin-3-yl)thiane 1,1-dioxide
CID 117105151
4-Bromo-6-(1,1-dioxothian-4-yl)pyridazin-3-amine
CID 117105156
4-(5-Bromo-6-chloropyridazin-3-yl)thiane 1,1-dioxide
CID 117105158
3-(Thian-4-yl)pyridazine
CID 117105159
5-Bromo-3-(thian-4-yl)pyridazine
CID 117105171
3-(Pyridazin-3-ylmethyl)thiolane 1,1-dioxide
CID 117105275
3-[(5-Bromopyridazin-3-yl)methyl]thiolane 1,1-dioxide
CID 117105287

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromopyridazin-3-yl)thiane 1,1-dioxide?
The IUPAC name of 4-(5-bromopyridazin-3-yl)thiane 1,1-dioxide (CID 117105155) is 4-(5-bromopyridazin-3-yl)thiane 1,1-dioxide.
What is the SMILES notation for 4-(5-bromopyridazin-3-yl)thiane 1,1-dioxide?
The canonical SMILES for 4-(5-bromopyridazin-3-yl)thiane 1,1-dioxide is O=S1(=O)CCC(c2cc(Br)cnn2)CC1.
What is the InChIKey of 4-(5-bromopyridazin-3-yl)thiane 1,1-dioxide?
The InChIKey is IESAMMMXQVYSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2S/c10-8-5-9(12-11-6-8)7-1-3-15(13,14)4-2-7/h5-7H,1-4H2.
What are the key properties of 4-(5-bromopyridazin-3-yl)thiane 1,1-dioxide?
4-(5-bromopyridazin-3-yl)thiane 1,1-dioxide has a molecular weight of 291.17 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromopyridazin-3-yl)thiane 1,1-dioxide is sourced from PubChem (CID 117105155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).