2-(5-chloro-6-methoxypyridazin-3-yl)thiane 1,1-dioxide

C10H13ClN2O3S — CID 117105927

IUPAC2-(5-chloro-6-methoxypyridazin-3-yl)thiane 1,1-dioxide
SMILESCOc1nnc(C2CCCCS2(=O)=O)cc1Cl
InChIInChI=1S/C10H13ClN2O3S/c1-16-10-7(11)6-8(12-13-10)9-4-2-3-5-17(9,14)15/h6,9H,2-5H2,1H3
InChIKeyLMSSKRPAHHQLCY-UHFFFAOYSA-N
MW276.75 g/mol
LogP1.78
Rot. Bonds2

About 2-(5-chloro-6-methoxypyridazin-3-yl)thiane 1,1-dioxide

2-(5-chloro-6-methoxypyridazin-3-yl)thiane 1,1-dioxide (PubChem CID 117105927) has the molecular formula C10H13ClN2O3S and a molecular weight of 276.75 g/mol. Its IUPAC name is 2-(5-chloro-6-methoxypyridazin-3-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name2-(5-chloro-6-methoxypyridazin-3-yl)thiane 1,1-dioxide
PubChem CID117105927
Molecular FormulaC10H13ClN2O3S
Molecular Weight276.75 g/mol
Exact Mass276.03
IUPAC Name2-(5-chloro-6-methoxypyridazin-3-yl)thiane 1,1-dioxide
SMILESCOc1nnc(C2CCCCS2(=O)=O)cc1Cl
InChIInChI=1S/C10H13ClN2O3S/c1-16-10-7(11)6-8(12-13-10)9-4-2-3-5-17(9,14)15/h6,9H,2-5H2,1H3
InChIKeyLMSSKRPAHHQLCY-UHFFFAOYSA-N
XLogP1.78
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromo-6-methoxypyridazin-3-yl)thiolane 1,1-dioxide
CID 117105789
4-chloro-6-cyclohexyl-3-methoxypyridazine
CID 117107222
4-chloro-3-methoxy-6-(1-methylpyrrolidin-3-yl)pyridazine
CID 117105117
2-[(5-bromo-6-methoxypyridazin-3-yl)methyl]thiane 1,1-dioxide
CID 117106203
2-[chloro-(2-chloro-4,5-dimethoxyphenyl)methyl]thiane 1,1-dioxide
CID 104521373
2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiane 1,1-dioxide
CID 117145442
1-(2,5-dichloro-4-methoxyphenyl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine
CID 104519095
3-(1,1-dioxothian-2-yl)-1-phenylpyrazol-5-amine
CID 104519670
2-[3-(4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiane 1,1-dioxide
CID 154769548
2-(4-tert-butyl-1,2,4-triazol-3-yl)thiane 1,1-dioxide
CID 113422585
2-(4-propan-2-yl-1,2,4-triazol-3-yl)thiane 1,1-dioxide
CID 104523031
6-(1,1-dioxothiolan-2-yl)pyridin-3-amine
CID 115027946

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-6-methoxypyridazin-3-yl)thiane 1,1-dioxide?
The IUPAC name of 2-(5-chloro-6-methoxypyridazin-3-yl)thiane 1,1-dioxide (CID 117105927) is 2-(5-chloro-6-methoxypyridazin-3-yl)thiane 1,1-dioxide.
What is the SMILES notation for 2-(5-chloro-6-methoxypyridazin-3-yl)thiane 1,1-dioxide?
The canonical SMILES for 2-(5-chloro-6-methoxypyridazin-3-yl)thiane 1,1-dioxide is COc1nnc(C2CCCCS2(=O)=O)cc1Cl.
What is the InChIKey of 2-(5-chloro-6-methoxypyridazin-3-yl)thiane 1,1-dioxide?
The InChIKey is LMSSKRPAHHQLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3S/c1-16-10-7(11)6-8(12-13-10)9-4-2-3-5-17(9,14)15/h6,9H,2-5H2,1H3.
What are the key properties of 2-(5-chloro-6-methoxypyridazin-3-yl)thiane 1,1-dioxide?
2-(5-chloro-6-methoxypyridazin-3-yl)thiane 1,1-dioxide has a molecular weight of 276.75 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-6-methoxypyridazin-3-yl)thiane 1,1-dioxide is sourced from PubChem (CID 117105927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).