6-tert-butylsulfonyl-3-methoxy-4-methylpyridazine

C10H16N2O3S — CID 10586399

IUPAC6-tert-butylsulfonyl-3-methoxy-4-methylpyridazine
SMILESCOc1nnc(S(=O)(=O)C(C)(C)C)cc1C
InChIInChI=1S/C10H16N2O3S/c1-7-6-8(11-12-9(7)15-5)16(13,14)10(2,3)4/h6H,1-5H3
InChIKeyUZXPNVAYWXUPRC-UHFFFAOYSA-N
MW244.32 g/mol
LogP1.37
Rot. Bonds2

About 6-tert-butylsulfonyl-3-methoxy-4-methylpyridazine

6-tert-butylsulfonyl-3-methoxy-4-methylpyridazine (PubChem CID 10586399) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 6-tert-butylsulfonyl-3-methoxy-4-methylpyridazine.

Molecular Properties

Compound Name6-tert-butylsulfonyl-3-methoxy-4-methylpyridazine
PubChem CID10586399
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name6-tert-butylsulfonyl-3-methoxy-4-methylpyridazine
SMILESCOc1nnc(S(=O)(=O)C(C)(C)C)cc1C
InChIInChI=1S/C10H16N2O3S/c1-7-6-8(11-12-9(7)15-5)16(13,14)10(2,3)4/h6H,1-5H3
InChIKeyUZXPNVAYWXUPRC-UHFFFAOYSA-N
XLogP1.37
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-tert-butyl-3-methoxy-4-methylpyridazine
CID 123891644
6-chloro-3-methoxy-4-methylpyridazine;ethane
CID 143997132
2-tert-butylsulfonyl-1,3,5-trimethylbenzene
CID 4069856
ethane;2-methoxy-5-methyl-3-methylsulfonyl-6-propan-2-ylpyridine
CID 145374345
6-methoxy-4-methyl-5-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134669634
2-tert-butylsulfonyl-1-methoxy-3-methylbenzene
CID 10900810
2-(difluoromethyl)-6-methoxy-5-methylpyridine-3-sulfonamide
CID 119025071
6-tert-butylsulfonyl-7-fluoro-4-methylquinoline
CID 123916237
5-(4-methoxyphthalazin-1-yl)-N,2-dimethylbenzenesulfonamide
CID 3149668
6-tert-butylsulfonyl-N-[(2,4-dimethoxyphenyl)methyl]pyridin-3-amine
CID 133359877
6-tert-butylsulfinyl-4-iodo-3-methoxypyridazine
CID 10807041
2-methoxy-3-(trifluoromethylsulfonyl)pyridine
CID 67361134

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfonyl-3-methoxy-4-methylpyridazine?
The IUPAC name of 6-tert-butylsulfonyl-3-methoxy-4-methylpyridazine (CID 10586399) is 6-tert-butylsulfonyl-3-methoxy-4-methylpyridazine.
What is the SMILES notation for 6-tert-butylsulfonyl-3-methoxy-4-methylpyridazine?
The canonical SMILES for 6-tert-butylsulfonyl-3-methoxy-4-methylpyridazine is COc1nnc(S(=O)(=O)C(C)(C)C)cc1C.
What is the InChIKey of 6-tert-butylsulfonyl-3-methoxy-4-methylpyridazine?
The InChIKey is UZXPNVAYWXUPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-7-6-8(11-12-9(7)15-5)16(13,14)10(2,3)4/h6H,1-5H3.
What are the key properties of 6-tert-butylsulfonyl-3-methoxy-4-methylpyridazine?
6-tert-butylsulfonyl-3-methoxy-4-methylpyridazine has a molecular weight of 244.32 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfonyl-3-methoxy-4-methylpyridazine is sourced from PubChem (CID 10586399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).