2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethanol

C9H17NO4S — CID 114411521

IUPAC2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethanol
SMILESCOCC1=CCN(S(=O)(=O)CCO)CC1
InChIInChI=1S/C9H17NO4S/c1-14-8-9-2-4-10(5-3-9)15(12,13)7-6-11/h2,11H,3-8H2,1H3
InChIKeyHFWUAUZLCHGHFC-UHFFFAOYSA-N
MW235.30 g/mol
LogP-0.41
Rot. Bonds5

About 2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethanol

2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethanol (PubChem CID 114411521) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethanol.

Molecular Properties

Compound Name2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethanol
PubChem CID114411521
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethanol
SMILESCOCC1=CCN(S(=O)(=O)CCO)CC1
InChIInChI=1S/C9H17NO4S/c1-14-8-9-2-4-10(5-3-9)15(12,13)7-6-11/h2,11H,3-8H2,1H3
InChIKeyHFWUAUZLCHGHFC-UHFFFAOYSA-N
XLogP-0.41
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethanol?
The IUPAC name of 2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethanol (CID 114411521) is 2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethanol.
What is the SMILES notation for 2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethanol?
The canonical SMILES for 2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethanol is COCC1=CCN(S(=O)(=O)CCO)CC1.
What is the InChIKey of 2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethanol?
The InChIKey is HFWUAUZLCHGHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-14-8-9-2-4-10(5-3-9)15(12,13)7-6-11/h2,11H,3-8H2,1H3.
What are the key properties of 2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethanol?
2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethanol has a molecular weight of 235.30 g/mol, XLogP of -0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethanol is sourced from PubChem (CID 114411521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).