3-methoxy-6-(oxan-2-ylmethylsulfonylmethyl)pyridazine

C12H18N2O4S — CID 167911690

IUPAC3-methoxy-6-(oxan-2-ylmethylsulfonylmethyl)pyridazine
SMILESCOc1ccc(CS(=O)(=O)CC2CCCCO2)nn1
InChIInChI=1S/C12H18N2O4S/c1-17-12-6-5-10(13-14-12)8-19(15,16)9-11-4-2-3-7-18-11/h5-6,11H,2-4,7-9H2,1H3
InChIKeyHGFHWKVTINQZDR-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.97
Rot. Bonds5

About 3-methoxy-6-(oxan-2-ylmethylsulfonylmethyl)pyridazine

3-methoxy-6-(oxan-2-ylmethylsulfonylmethyl)pyridazine (PubChem CID 167911690) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 3-methoxy-6-(oxan-2-ylmethylsulfonylmethyl)pyridazine.

Molecular Properties

Compound Name3-methoxy-6-(oxan-2-ylmethylsulfonylmethyl)pyridazine
PubChem CID167911690
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name3-methoxy-6-(oxan-2-ylmethylsulfonylmethyl)pyridazine
SMILESCOc1ccc(CS(=O)(=O)CC2CCCCO2)nn1
InChIInChI=1S/C12H18N2O4S/c1-17-12-6-5-10(13-14-12)8-19(15,16)9-11-4-2-3-7-18-11/h5-6,11H,2-4,7-9H2,1H3
InChIKeyHGFHWKVTINQZDR-UHFFFAOYSA-N
XLogP0.97
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-methoxy-3-(oxolan-2-ylmethylsulfonylmethyl)phenyl]methanamine
CID 106496038
5-(4-methoxyphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfonylmethyl]-1,2,4-oxadiazole
CID 97063724
3-methoxy-6-(oxan-2-yl)pyridazine
CID 117105921
methyl 3-bromo-4-(oxolan-2-ylmethylsulfonylmethyl)benzoate
CID 106493670
2-chloro-4-(oxolan-2-ylmethylsulfonylmethyl)pyridine
CID 122135921
N-[[5-(oxolan-2-ylmethylsulfonylmethyl)furan-2-yl]methyl]propan-2-amine
CID 106495988
[6-(oxolan-2-ylmethoxy)pyridazin-3-yl]methanol
CID 61255499
2-(oxan-2-ylmethylsulfonyl)ethanol
CID 71857024
2-methyl-N-[[6-(oxan-2-ylmethoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62291749
N,N-dimethyl-3-[[(2R)-oxolan-2-yl]methylsulfonylmethyl]benzenesulfonamide
CID 95382932
(2R)-2-(methylsulfonylmethyl)oxolane
CID 68993549
2-[2-(oxolan-2-ylmethylsulfonyl)ethoxy]aniline
CID 106494924

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-(oxan-2-ylmethylsulfonylmethyl)pyridazine?
The IUPAC name of 3-methoxy-6-(oxan-2-ylmethylsulfonylmethyl)pyridazine (CID 167911690) is 3-methoxy-6-(oxan-2-ylmethylsulfonylmethyl)pyridazine.
What is the SMILES notation for 3-methoxy-6-(oxan-2-ylmethylsulfonylmethyl)pyridazine?
The canonical SMILES for 3-methoxy-6-(oxan-2-ylmethylsulfonylmethyl)pyridazine is COc1ccc(CS(=O)(=O)CC2CCCCO2)nn1.
What is the InChIKey of 3-methoxy-6-(oxan-2-ylmethylsulfonylmethyl)pyridazine?
The InChIKey is HGFHWKVTINQZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-17-12-6-5-10(13-14-12)8-19(15,16)9-11-4-2-3-7-18-11/h5-6,11H,2-4,7-9H2,1H3.
What are the key properties of 3-methoxy-6-(oxan-2-ylmethylsulfonylmethyl)pyridazine?
3-methoxy-6-(oxan-2-ylmethylsulfonylmethyl)pyridazine has a molecular weight of 286.35 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-(oxan-2-ylmethylsulfonylmethyl)pyridazine is sourced from PubChem (CID 167911690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).