5-(benzenesulfonyl)-2-ethoxy-6-methyl-3,4-dihydro-2H-pyran

C14H18O4S — CID 14913023

IUPAC5-(benzenesulfonyl)-2-ethoxy-6-methyl-3,4-dihydro-2H-pyran
SMILESCCOC1CCC(S(=O)(=O)c2ccccc2)=C(C)O1
InChIInChI=1S/C14H18O4S/c1-3-17-14-10-9-13(11(2)18-14)19(15,16)12-7-5-4-6-8-12/h4-8,14H,3,9-10H2,1-2H3
InChIKeyHEFKPAJXEWXEEF-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.86
Rot. Bonds4

About 5-(benzenesulfonyl)-2-ethoxy-6-methyl-3,4-dihydro-2H-pyran

5-(benzenesulfonyl)-2-ethoxy-6-methyl-3,4-dihydro-2H-pyran (PubChem CID 14913023) has the molecular formula C14H18O4S and a molecular weight of 282.36 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-2-ethoxy-6-methyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name5-(benzenesulfonyl)-2-ethoxy-6-methyl-3,4-dihydro-2H-pyran
PubChem CID14913023
Molecular FormulaC14H18O4S
Molecular Weight282.36 g/mol
Exact Mass282.09
IUPAC Name5-(benzenesulfonyl)-2-ethoxy-6-methyl-3,4-dihydro-2H-pyran
SMILESCCOC1CCC(S(=O)(=O)c2ccccc2)=C(C)O1
InChIInChI=1S/C14H18O4S/c1-3-17-14-10-9-13(11(2)18-14)19(15,16)12-7-5-4-6-8-12/h4-8,14H,3,9-10H2,1-2H3
InChIKeyHEFKPAJXEWXEEF-UHFFFAOYSA-N
XLogP2.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Benzene, ((2,2-dimethoxyethyl)sulfonyl)-
CID 554535
[(3,3,3-Trimethoxypropyl)sulfonyl]benzene
CID 10901794
2-[3-(Benzenesulfonyl)propyl]-1,3-dioxolane
CID 11118676
(4-Ethoxycyclohexen-1-yl)sulfonylbenzene
CID 13897760
6-[3-(benzenesulfonyl)propyl]-3,4-dihydro-2H-pyran
CID 14660265
5-(benzenesulfonyl)-6-methyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran
CID 72741045
1,3-Dioxolane, 2-[2-(phenylsulfonyl)ethyl]-
CID 11096791
(2S)-2-ethoxy-5-(4-methylphenyl)sulfinyl-3,4-dihydro-2H-pyran
CID 386663
(1-Fluoro-2,2-dimethoxyethyl)sulfonylbenzene
CID 14929164
2-[2-(Benzenesulfonyl)-2-fluoroethyl]-5-butan-2-yloxy-1,4-dioxane
CID 151626620
3,3,3-Triethoxypropylsulfonylbenzene
CID 2733117
2H-Pyran, 2-[1,1-dimethyl-3-(phenylsulfonyl)propoxy]tetrahydro-
CID 11045209

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-2-ethoxy-6-methyl-3,4-dihydro-2H-pyran?
The IUPAC name of 5-(benzenesulfonyl)-2-ethoxy-6-methyl-3,4-dihydro-2H-pyran (CID 14913023) is 5-(benzenesulfonyl)-2-ethoxy-6-methyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 5-(benzenesulfonyl)-2-ethoxy-6-methyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 5-(benzenesulfonyl)-2-ethoxy-6-methyl-3,4-dihydro-2H-pyran is CCOC1CCC(S(=O)(=O)c2ccccc2)=C(C)O1.
What is the InChIKey of 5-(benzenesulfonyl)-2-ethoxy-6-methyl-3,4-dihydro-2H-pyran?
The InChIKey is HEFKPAJXEWXEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4S/c1-3-17-14-10-9-13(11(2)18-14)19(15,16)12-7-5-4-6-8-12/h4-8,14H,3,9-10H2,1-2H3.
What are the key properties of 5-(benzenesulfonyl)-2-ethoxy-6-methyl-3,4-dihydro-2H-pyran?
5-(benzenesulfonyl)-2-ethoxy-6-methyl-3,4-dihydro-2H-pyran has a molecular weight of 282.36 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-2-ethoxy-6-methyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 14913023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).