4-(methoxymethyl)-1-methylsulfonyl-3,6-dihydro-2H-pyridine

C8H15NO3S — CID 114393236

IUPAC4-(methoxymethyl)-1-methylsulfonyl-3,6-dihydro-2H-pyridine
SMILESCOCC1=CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C8H15NO3S/c1-12-7-8-3-5-9(6-4-8)13(2,10)11/h3H,4-7H2,1-2H3
InChIKeyGAQSQIAZINLOJO-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.22
Rot. Bonds3

About 4-(methoxymethyl)-1-methylsulfonyl-3,6-dihydro-2H-pyridine

4-(methoxymethyl)-1-methylsulfonyl-3,6-dihydro-2H-pyridine (PubChem CID 114393236) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is 4-(methoxymethyl)-1-methylsulfonyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(methoxymethyl)-1-methylsulfonyl-3,6-dihydro-2H-pyridine
PubChem CID114393236
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name4-(methoxymethyl)-1-methylsulfonyl-3,6-dihydro-2H-pyridine
SMILESCOCC1=CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C8H15NO3S/c1-12-7-8-3-5-9(6-4-8)13(2,10)11/h3H,4-7H2,1-2H3
InChIKeyGAQSQIAZINLOJO-UHFFFAOYSA-N
XLogP0.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-1-methylsulfonyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(methoxymethyl)-1-methylsulfonyl-3,6-dihydro-2H-pyridine (CID 114393236) is 4-(methoxymethyl)-1-methylsulfonyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(methoxymethyl)-1-methylsulfonyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(methoxymethyl)-1-methylsulfonyl-3,6-dihydro-2H-pyridine is COCC1=CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 4-(methoxymethyl)-1-methylsulfonyl-3,6-dihydro-2H-pyridine?
The InChIKey is GAQSQIAZINLOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-12-7-8-3-5-9(6-4-8)13(2,10)11/h3H,4-7H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-1-methylsulfonyl-3,6-dihydro-2H-pyridine?
4-(methoxymethyl)-1-methylsulfonyl-3,6-dihydro-2H-pyridine has a molecular weight of 205.28 g/mol, XLogP of 0.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1-methylsulfonyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 114393236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).