2-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-5-methoxyphenyl]ethanol

C14H19NO4S — CID 114413752

IUPAC2-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-5-methoxyphenyl]ethanol
SMILESCOc1ccc(S(=O)(=O)N2CC=CCC2)c(CCO)c1
InChIInChI=1S/C14H19NO4S/c1-19-13-5-6-14(12(11-13)7-10-16)20(17,18)15-8-3-2-4-9-15/h2-3,5-6,11,16H,4,7-10H2,1H3
InChIKeyCDAYFAMLWHFGTH-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.18
Rot. Bonds5

About 2-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-5-methoxyphenyl]ethanol

2-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-5-methoxyphenyl]ethanol (PubChem CID 114413752) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-5-methoxyphenyl]ethanol.

Molecular Properties

Compound Name2-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-5-methoxyphenyl]ethanol
PubChem CID114413752
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name2-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-5-methoxyphenyl]ethanol
SMILESCOc1ccc(S(=O)(=O)N2CC=CCC2)c(CCO)c1
InChIInChI=1S/C14H19NO4S/c1-19-13-5-6-14(12(11-13)7-10-16)20(17,18)15-8-3-2-4-9-15/h2-3,5-6,11,16H,4,7-10H2,1H3
InChIKeyCDAYFAMLWHFGTH-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
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

2-(2-hydroxyethyl)-4-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331622
N-[[3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-4-methoxyphenyl]methyl]ethanamine
CID 114414047
[4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-5-methylfuran-2-yl]methanol
CID 114413744
N-[[4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-3-fluorophenyl]methyl]propan-2-amine
CID 114414036
2-(5-methoxy-2-piperidin-1-ylphenyl)ethanol
CID 117343468
[5-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-2-fluorophenyl]methanol
CID 114413737
1-[3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-4-methylphenyl]-N-methylmethanamine
CID 114413890
2-(hydroxymethyl)-4-methoxybenzenesulfonamide
CID 67168933
N-[[3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-4-methylphenyl]methyl]ethanamine
CID 114414026
1-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110818820
1-(2-amino-4-methoxyphenyl)sulfonylazetidin-3-ol
CID 107212187
1-(2-bromo-4-methoxyphenyl)sulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120715241

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-5-methoxyphenyl]ethanol?
The IUPAC name of 2-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-5-methoxyphenyl]ethanol (CID 114413752) is 2-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-5-methoxyphenyl]ethanol.
What is the SMILES notation for 2-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-5-methoxyphenyl]ethanol?
The canonical SMILES for 2-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-5-methoxyphenyl]ethanol is COc1ccc(S(=O)(=O)N2CC=CCC2)c(CCO)c1.
What is the InChIKey of 2-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-5-methoxyphenyl]ethanol?
The InChIKey is CDAYFAMLWHFGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-19-13-5-6-14(12(11-13)7-10-16)20(17,18)15-8-3-2-4-9-15/h2-3,5-6,11,16H,4,7-10H2,1H3.
What are the key properties of 2-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-5-methoxyphenyl]ethanol?
2-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-5-methoxyphenyl]ethanol has a molecular weight of 297.38 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-5-methoxyphenyl]ethanol is sourced from PubChem (CID 114413752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).