3-pyridazin-3-ylthiane 1,1-dioxide

C9H12N2O2S — CID 117105552

IUPAC3-pyridazin-3-ylthiane 1,1-dioxide
SMILESO=S1(=O)CCCC(c2cccnn2)C1
InChIInChI=1S/C9H12N2O2S/c12-14(13)6-2-3-8(7-14)9-4-1-5-10-11-9/h1,4-5,8H,2-3,6-7H2
InChIKeyOIHSYWBSHSTJOD-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.77
Rot. Bonds1

About 3-pyridazin-3-ylthiane 1,1-dioxide

3-pyridazin-3-ylthiane 1,1-dioxide (PubChem CID 117105552) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 3-pyridazin-3-ylthiane 1,1-dioxide.

Molecular Properties

Compound Name3-pyridazin-3-ylthiane 1,1-dioxide
PubChem CID117105552
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name3-pyridazin-3-ylthiane 1,1-dioxide
SMILESO=S1(=O)CCCC(c2cccnn2)C1
InChIInChI=1S/C9H12N2O2S/c12-14(13)6-2-3-8(7-14)9-4-1-5-10-11-9/h1,4-5,8H,2-3,6-7H2
InChIKeyOIHSYWBSHSTJOD-UHFFFAOYSA-N
XLogP0.77
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentylpyridazine
CID 57011827
6-(1,1-dioxothian-3-yl)pyridazin-4-amine
CID 117105556
3-(5-chloropyridazin-3-yl)thiolane 1,1-dioxide
CID 117105014
3-(1-methylpyrrolidin-3-yl)pyridazine
CID 117105038
3-(1,1-dioxothian-3-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-6-amine
CID 115049588
2-(1,1-dioxothian-3-yl)imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117131698
3-(8-methylimidazo[1,2-a]pyridin-2-yl)thiane 1,1-dioxide
CID 117136320
3-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)thiane 1,1-dioxide
CID 126840136
(4-pyridazin-3-ylcyclohexyl)methanamine
CID 142279710
3-(triazolo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide
CID 117159303
3-(5-chloroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide
CID 117141476
3-bromo-N-(1,1-dioxothian-3-yl)pyridin-2-amine
CID 63922588

Frequently Asked Questions

What is the IUPAC name of 3-pyridazin-3-ylthiane 1,1-dioxide?
The IUPAC name of 3-pyridazin-3-ylthiane 1,1-dioxide (CID 117105552) is 3-pyridazin-3-ylthiane 1,1-dioxide.
What is the SMILES notation for 3-pyridazin-3-ylthiane 1,1-dioxide?
The canonical SMILES for 3-pyridazin-3-ylthiane 1,1-dioxide is O=S1(=O)CCCC(c2cccnn2)C1.
What is the InChIKey of 3-pyridazin-3-ylthiane 1,1-dioxide?
The InChIKey is OIHSYWBSHSTJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c12-14(13)6-2-3-8(7-14)9-4-1-5-10-11-9/h1,4-5,8H,2-3,6-7H2.
What are the key properties of 3-pyridazin-3-ylthiane 1,1-dioxide?
3-pyridazin-3-ylthiane 1,1-dioxide has a molecular weight of 212.27 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridazin-3-ylthiane 1,1-dioxide is sourced from PubChem (CID 117105552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).