[4-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-methyl-2-pyridinyl]methyl methanesulfonate

C15H25NO7S — CID 123965222

IUPAC[4-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-methyl-2-pyridinyl]methyl methanesulfonate
SMILESCOCCOCCOC(C)Oc1cc(C)nc(COS(C)(=O)=O)c1
InChIInChI=1S/C15H25NO7S/c1-12-9-15(10-14(16-12)11-22-24(4,17)18)23-13(2)21-8-7-20-6-5-19-3/h9-10,13H,5-8,11H2,1-4H3
InChIKeyLAOIBPRSMLNJMU-UHFFFAOYSA-N
MW363.43 g/mol
LogP1.27
Rot. Bonds12

About [4-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-methyl-2-pyridinyl]methyl methanesulfonate

[4-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-methyl-2-pyridinyl]methyl methanesulfonate (PubChem CID 123965222) has the molecular formula C15H25NO7S and a molecular weight of 363.43 g/mol. Its IUPAC name is [4-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-methyl-2-pyridinyl]methyl methanesulfonate.

Molecular Properties

Compound Name[4-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-methyl-2-pyridinyl]methyl methanesulfonate
PubChem CID123965222
Molecular FormulaC15H25NO7S
Molecular Weight363.43 g/mol
Exact Mass363.14
IUPAC Name[4-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-methyl-2-pyridinyl]methyl methanesulfonate
SMILESCOCCOCCOC(C)Oc1cc(C)nc(COS(C)(=O)=O)c1
InChIInChI=1S/C15H25NO7S/c1-12-9-15(10-14(16-12)11-22-24(4,17)18)23-13(2)21-8-7-20-6-5-19-3/h9-10,13H,5-8,11H2,1-4H3
InChIKeyLAOIBPRSMLNJMU-UHFFFAOYSA-N
XLogP1.27
TPSA93.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylphenyl]-6-(methylsulfonyloxymethyl)pyridine-2-carboxylate
CID 154596901
2-(2-methoxyethoxy)ethyl methanesulfonate
CID 3815654
[2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]pyrimidin-4-yl]methyl methanesulfonate
CID 154608196
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
CID 171617041
2,4-ditert-butyl-1-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 129256611
(2-methyl-1,3-oxazol-4-yl)methyl methanesulfonate
CID 86596672
(4-methoxy-6-methyl-2-pyridinyl)methyl (2S)-2-(2-bromophenoxy)propanoate
CID 99598956
O-[(4-methoxy-6-methyl-2-pyridinyl)methyl]hydroxylamine
CID 82893104
methyl 2-(methoxymethyl)-6-methylpyridine-4-carboxylate
CID 118905736
1-ethoxy-1-[2-(2-methoxyethoxy)ethoxy]ethane
CID 87172794
6-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1H-indole-2-carboxylic acid
CID 21477653
(1S)-1-[4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 82892794

Frequently Asked Questions

What is the IUPAC name of [4-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-methyl-2-pyridinyl]methyl methanesulfonate?
The IUPAC name of [4-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-methyl-2-pyridinyl]methyl methanesulfonate (CID 123965222) is [4-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-methyl-2-pyridinyl]methyl methanesulfonate.
What is the SMILES notation for [4-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-methyl-2-pyridinyl]methyl methanesulfonate?
The canonical SMILES for [4-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-methyl-2-pyridinyl]methyl methanesulfonate is COCCOCCOC(C)Oc1cc(C)nc(COS(C)(=O)=O)c1.
What is the InChIKey of [4-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-methyl-2-pyridinyl]methyl methanesulfonate?
The InChIKey is LAOIBPRSMLNJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO7S/c1-12-9-15(10-14(16-12)11-22-24(4,17)18)23-13(2)21-8-7-20-6-5-19-3/h9-10,13H,5-8,11H2,1-4H3.
What are the key properties of [4-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-methyl-2-pyridinyl]methyl methanesulfonate?
[4-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-methyl-2-pyridinyl]methyl methanesulfonate has a molecular weight of 363.43 g/mol, XLogP of 1.27, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-methyl-2-pyridinyl]methyl methanesulfonate is sourced from PubChem (CID 123965222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).