2-(2-pyridin-2-ylethoxy)ethyl methanesulfonate

C10H15NO4S — CID 164863445

IUPAC2-(2-pyridin-2-ylethoxy)ethyl methanesulfonate
SMILESCS(=O)(=O)OCCOCCc1ccccn1
InChIInChI=1S/C10H15NO4S/c1-16(12,13)15-9-8-14-7-5-10-4-2-3-6-11-10/h2-4,6H,5,7-9H2,1H3
InChIKeyVQINCDVIKVUJNE-UHFFFAOYSA-N
MW245.30 g/mol
LogP0.62
Rot. Bonds7

About 2-(2-pyridin-2-ylethoxy)ethyl methanesulfonate

2-(2-pyridin-2-ylethoxy)ethyl methanesulfonate (PubChem CID 164863445) has the molecular formula C10H15NO4S and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-(2-pyridin-2-ylethoxy)ethyl methanesulfonate.

Molecular Properties

Compound Name2-(2-pyridin-2-ylethoxy)ethyl methanesulfonate
PubChem CID164863445
Molecular FormulaC10H15NO4S
Molecular Weight245.30 g/mol
Exact Mass245.07
IUPAC Name2-(2-pyridin-2-ylethoxy)ethyl methanesulfonate
SMILESCS(=O)(=O)OCCOCCc1ccccn1
InChIInChI=1S/C10H15NO4S/c1-16(12,13)15-9-8-14-7-5-10-4-2-3-6-11-10/h2-4,6H,5,7-9H2,1H3
InChIKeyVQINCDVIKVUJNE-UHFFFAOYSA-N
XLogP0.62
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-pyridin-2-ylethoxy)propanal
CID 63039480
2-[2-(ethoxymethoxy)ethyl]pyridine
CID 20729603
2-(2-pyridin-2-ylethoxy)acetaldehyde
CID 54223442
4-[2-(2-pyridin-2-ylethoxy)ethoxy]aniline
CID 43366212
2-methyl-N-[2-(2-pyridin-2-ylethoxy)ethyl]propan-2-amine
CID 62456481
methyl 2,2-dimethyl-3-(2-pyridin-2-ylethoxy)propanoate
CID 79622873
2,2-dimethyl-3-(2-pyridin-2-ylethoxy)propanehydrazide
CID 79628320
7-(2-pyridin-2-ylethoxy)heptan-2-one
CID 23045048
2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 118796291
3-pyridin-2-ylpropyl hydrogen sulfate
CID 88630497
methyl 2-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethyl]benzoate
CID 122573177
2-[6-(6-pyridin-2-ylhexoxy)hexyl]pyridine
CID 57198665

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-ylethoxy)ethyl methanesulfonate?
The IUPAC name of 2-(2-pyridin-2-ylethoxy)ethyl methanesulfonate (CID 164863445) is 2-(2-pyridin-2-ylethoxy)ethyl methanesulfonate.
What is the SMILES notation for 2-(2-pyridin-2-ylethoxy)ethyl methanesulfonate?
The canonical SMILES for 2-(2-pyridin-2-ylethoxy)ethyl methanesulfonate is CS(=O)(=O)OCCOCCc1ccccn1.
What is the InChIKey of 2-(2-pyridin-2-ylethoxy)ethyl methanesulfonate?
The InChIKey is VQINCDVIKVUJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S/c1-16(12,13)15-9-8-14-7-5-10-4-2-3-6-11-10/h2-4,6H,5,7-9H2,1H3.
What are the key properties of 2-(2-pyridin-2-ylethoxy)ethyl methanesulfonate?
2-(2-pyridin-2-ylethoxy)ethyl methanesulfonate has a molecular weight of 245.30 g/mol, XLogP of 0.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-ylethoxy)ethyl methanesulfonate is sourced from PubChem (CID 164863445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).