4-(6-chloropyridazin-4-yl)-1,4-thiazinane 1,1-dioxide

C8H10ClN3O2S — CID 114478102

IUPAC4-(6-chloropyridazin-4-yl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(c2cnnc(Cl)c2)CC1
InChIInChI=1S/C8H10ClN3O2S/c9-8-5-7(6-10-11-8)12-1-3-15(13,14)4-2-12/h5-6H,1-4H2
InChIKeyULRGVIYEMOGSBK-UHFFFAOYSA-N
MW247.71 g/mol
LogP0.36
Rot. Bonds1

About 4-(6-chloropyridazin-4-yl)-1,4-thiazinane 1,1-dioxide

4-(6-chloropyridazin-4-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 114478102) has the molecular formula C8H10ClN3O2S and a molecular weight of 247.71 g/mol. Its IUPAC name is 4-(6-chloropyridazin-4-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(6-chloropyridazin-4-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID114478102
Molecular FormulaC8H10ClN3O2S
Molecular Weight247.71 g/mol
Exact Mass247.02
IUPAC Name4-(6-chloropyridazin-4-yl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(c2cnnc(Cl)c2)CC1
InChIInChI=1S/C8H10ClN3O2S/c9-8-5-7(6-10-11-8)12-1-3-15(13,14)4-2-12/h5-6H,1-4H2
InChIKeyULRGVIYEMOGSBK-UHFFFAOYSA-N
XLogP0.36
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.71
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloropyridazin-4-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(6-chloropyridazin-4-yl)-1,4-thiazinane 1,1-dioxide (CID 114478102) is 4-(6-chloropyridazin-4-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(6-chloropyridazin-4-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(6-chloropyridazin-4-yl)-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(c2cnnc(Cl)c2)CC1.
What is the InChIKey of 4-(6-chloropyridazin-4-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is ULRGVIYEMOGSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2S/c9-8-5-7(6-10-11-8)12-1-3-15(13,14)4-2-12/h5-6H,1-4H2.
What are the key properties of 4-(6-chloropyridazin-4-yl)-1,4-thiazinane 1,1-dioxide?
4-(6-chloropyridazin-4-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 247.71 g/mol, XLogP of 0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloropyridazin-4-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 114478102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).