3-(pyridazin-3-ylmethyl)thiolane 1,1-dioxide

C9H12N2O2S — CID 117105275

IUPAC3-(pyridazin-3-ylmethyl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(Cc2cccnn2)C1
InChIInChI=1S/C9H12N2O2S/c12-14(13)5-3-8(7-14)6-9-2-1-4-10-11-9/h1-2,4,8H,3,5-7H2
InChIKeyLMDLQWZXIVOALR-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.45
Rot. Bonds2

About 3-(pyridazin-3-ylmethyl)thiolane 1,1-dioxide

3-(pyridazin-3-ylmethyl)thiolane 1,1-dioxide (PubChem CID 117105275) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 3-(pyridazin-3-ylmethyl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(pyridazin-3-ylmethyl)thiolane 1,1-dioxide
PubChem CID117105275
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name3-(pyridazin-3-ylmethyl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(Cc2cccnn2)C1
InChIInChI=1S/C9H12N2O2S/c12-14(13)5-3-8(7-14)6-9-2-1-4-10-11-9/h1-2,4,8H,3,5-7H2
InChIKeyLMDLQWZXIVOALR-UHFFFAOYSA-N
XLogP0.45
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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3-Ethyldihydro-4-(3-pyridazinylmethyl)-2-(3H)-thiophenone
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5,7-Dihydrothieno[3,4-c]pyridazine 6-oxide
CID 22950279
3-(Methylsulfonylmethyl)pyridazine
CID 66972383
3-(2-Propan-2-ylsulfonylphenyl)pyridazine
CID 67053474
2-Pyridazin-3-ylethanesulfonamide
CID 68971992
3-(Methylsulfinylmethyl)pyridazine
CID 91342415
1-Pyridazin-3-ylpropane-2-sulfonamide
CID 140565022
2-Pyridazin-3-ylethanesulfonic acid
CID 152129703
1-[(6-methylpyridazin-3-yl)methylsulfonylmethyl]-5-propan-2-yl-3aH-isoindole
CID 157635881

Frequently Asked Questions

What is the IUPAC name of 3-(pyridazin-3-ylmethyl)thiolane 1,1-dioxide?
The IUPAC name of 3-(pyridazin-3-ylmethyl)thiolane 1,1-dioxide (CID 117105275) is 3-(pyridazin-3-ylmethyl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(pyridazin-3-ylmethyl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(pyridazin-3-ylmethyl)thiolane 1,1-dioxide is O=S1(=O)CCC(Cc2cccnn2)C1.
What is the InChIKey of 3-(pyridazin-3-ylmethyl)thiolane 1,1-dioxide?
The InChIKey is LMDLQWZXIVOALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c12-14(13)5-3-8(7-14)6-9-2-1-4-10-11-9/h1-2,4,8H,3,5-7H2.
What are the key properties of 3-(pyridazin-3-ylmethyl)thiolane 1,1-dioxide?
3-(pyridazin-3-ylmethyl)thiolane 1,1-dioxide has a molecular weight of 212.27 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridazin-3-ylmethyl)thiolane 1,1-dioxide is sourced from PubChem (CID 117105275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).