1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethanol

C11H17NO5S — CID 146403100

IUPAC1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethanol
SMILESCCOc1nc(C(O)CS(C)(=O)=O)ccc1OC
InChIInChI=1S/C11H17NO5S/c1-4-17-11-10(16-2)6-5-8(12-11)9(13)7-18(3,14)15/h5-6,9,13H,4,7H2,1-3H3
InChIKeyXUSGGRZWYFLDQZ-UHFFFAOYSA-N
MW275.33 g/mol
LogP0.57
Rot. Bonds6

About 1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethanol

1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethanol (PubChem CID 146403100) has the molecular formula C11H17NO5S and a molecular weight of 275.33 g/mol. Its IUPAC name is 1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethanol.

Molecular Properties

Compound Name1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethanol
PubChem CID146403100
Molecular FormulaC11H17NO5S
Molecular Weight275.33 g/mol
Exact Mass275.08
IUPAC Name1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethanol
SMILESCCOc1nc(C(O)CS(C)(=O)=O)ccc1OC
InChIInChI=1S/C11H17NO5S/c1-4-17-11-10(16-2)6-5-8(12-11)9(13)7-18(3,14)15/h5-6,9,13H,4,7H2,1-3H3
InChIKeyXUSGGRZWYFLDQZ-UHFFFAOYSA-N
XLogP0.57
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]isoindole-1,3-dione
CID 146403090
N-[7-chloro-2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide
CID 146403145
N-[2-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]acetamide
CID 146403122
N-[5-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]propanamide
CID 156838524
methyl 2-[[[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]amino]methyl]-6-nitrobenzoate
CID 156838471
N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]-2-hydroxyacetamide
CID 146403193
3-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one
CID 166172158
N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-fluoro-1,3-dioxoisoindol-4-yl]acetamide
CID 146403127
N-[5-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]cyclopropanecarboxamide
CID 156838393
1-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-5-(5-fluoro-2-methoxyphenyl)-3-methylbenzimidazol-2-one
CID 156838550
1-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-3-methyl-5-(2,4,5-trifluorophenyl)benzimidazol-2-one
CID 156838449
1-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-5-(2-ethylphenyl)-3-methylbenzimidazol-2-one
CID 175389273

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethanol?
The IUPAC name of 1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethanol (CID 146403100) is 1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethanol.
What is the SMILES notation for 1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethanol?
The canonical SMILES for 1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethanol is CCOc1nc(C(O)CS(C)(=O)=O)ccc1OC.
What is the InChIKey of 1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethanol?
The InChIKey is XUSGGRZWYFLDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5S/c1-4-17-11-10(16-2)6-5-8(12-11)9(13)7-18(3,14)15/h5-6,9,13H,4,7H2,1-3H3.
What are the key properties of 1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethanol?
1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethanol has a molecular weight of 275.33 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethanol is sourced from PubChem (CID 146403100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).