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

C14H19NO4S — CID 114413877

IUPAC[2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]methanol
SMILESCOCC1=CCN(S(=O)(=O)c2ccccc2CO)CC1
InChIInChI=1S/C14H19NO4S/c1-19-11-12-6-8-15(9-7-12)20(17,18)14-5-3-2-4-13(14)10-16/h2-6,16H,7-11H2,1H3
InChIKeyFQOYHXJYXNGLOR-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.15
Rot. Bonds5

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

[2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]methanol (PubChem CID 114413877) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is [2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]methanol
PubChem CID114413877
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name[2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]methanol
SMILESCOCC1=CCN(S(=O)(=O)c2ccccc2CO)CC1
InChIInChI=1S/C14H19NO4S/c1-19-11-12-6-8-15(9-7-12)20(17,18)14-5-3-2-4-13(14)10-16/h2-6,16H,7-11H2,1H3
InChIKeyFQOYHXJYXNGLOR-UHFFFAOYSA-N
XLogP1.15
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-bromo-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]methanol
CID 114413865
[2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]methanol
CID 114490935
3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]thiophene-2-carboxylic acid
CID 114408409
4-ethyl-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]aniline
CID 114407862
1-(4-bromo-2-chlorophenyl)sulfonyl-4-(methoxymethyl)-3,6-dihydro-2H-pyridine
CID 114393249
5-methoxy-2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]aniline
CID 114407860
[4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-5-methyl-1H-pyrazol-3-yl]methanol
CID 114413872
2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]acetic acid
CID 114408395
1-(2-chloroethylsulfonyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine
CID 107652550
[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanol
CID 114412419
2-bromo-4-fluoro-5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]aniline
CID 114407877
4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-1H-pyrrole-2-carboxylic acid
CID 114395612

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]methanol?
The IUPAC name of [2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]methanol (CID 114413877) is [2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]methanol.
What is the SMILES notation for [2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]methanol?
The canonical SMILES for [2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]methanol is COCC1=CCN(S(=O)(=O)c2ccccc2CO)CC1.
What is the InChIKey of [2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]methanol?
The InChIKey is FQOYHXJYXNGLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-19-11-12-6-8-15(9-7-12)20(17,18)14-5-3-2-4-13(14)10-16/h2-6,16H,7-11H2,1H3.
What are the key properties of [2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]methanol?
[2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]methanol has a molecular weight of 297.38 g/mol, XLogP of 1.15, 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]phenyl]methanol is sourced from PubChem (CID 114413877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).