[(E)-1-(4-methylphenyl)sulfonylpent-1-en-3-yl] acetate

C14H18O4S — CID 14245590

IUPAC[(E)-1-(4-methylphenyl)sulfonylpent-1-en-3-yl] acetate
SMILESCCC(/C=C/S(=O)(=O)c1ccc(C)cc1)OC(C)=O
InChIInChI=1S/C14H18O4S/c1-4-13(18-12(3)15)9-10-19(16,17)14-7-5-11(2)6-8-14/h5-10,13H,4H2,1-3H3/b10-9+
InChIKeyRMQVEHRQOLARMH-MDZDMXLPSA-N
MW282.36 g/mol
LogP2.62
Rot. Bonds5

About [(E)-1-(4-methylphenyl)sulfonylpent-1-en-3-yl] acetate

[(E)-1-(4-methylphenyl)sulfonylpent-1-en-3-yl] acetate (PubChem CID 14245590) has the molecular formula C14H18O4S and a molecular weight of 282.36 g/mol. Its IUPAC name is [(E)-1-(4-methylphenyl)sulfonylpent-1-en-3-yl] acetate.

Molecular Properties

Compound Name[(E)-1-(4-methylphenyl)sulfonylpent-1-en-3-yl] acetate
PubChem CID14245590
Molecular FormulaC14H18O4S
Molecular Weight282.36 g/mol
Exact Mass282.09
IUPAC Name[(E)-1-(4-methylphenyl)sulfonylpent-1-en-3-yl] acetate
SMILESCCC(/C=C/S(=O)(=O)c1ccc(C)cc1)OC(C)=O
InChIInChI=1S/C14H18O4S/c1-4-13(18-12(3)15)9-10-19(16,17)14-7-5-11(2)6-8-14/h5-10,13H,4H2,1-3H3/b10-9+
InChIKeyRMQVEHRQOLARMH-MDZDMXLPSA-N
XLogP2.62
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(E)-3-methoxypent-1-enyl]sulfonyl-4-methylbenzene
CID 14245589
(E,3S)-1-(4-methylphenyl)sulfonylhex-1-en-3-ol
CID 15727628
[(2R,3S)-3-(4-methylphenyl)sulfonyloxybutan-2-yl] acetate
CID 13261107
ethyl (E)-3-(4-methylphenyl)sulfonylprop-2-enoate
CID 11230550
tris(diethylamino)-[(E)-2-(4-methylphenyl)sulfonylethenyl]phosphanium
CID 12583575
[(Z,2S)-4-(4-bromophenyl)sulfonylbut-3-en-2-yl] acetate
CID 42597134
[(2S,3S)-3-[(4-methylphenyl)sulfonylmethyl]-4-oxohexan-2-yl] acetate
CID 100989836
[(2S,3R)-3-[(4-methylphenyl)sulfonylmethyl]-4-oxohexan-2-yl] acetate
CID 100989837
1-methyl-4-[(1E,3E)-4-(4-methylphenyl)sulfonylbuta-1,3-dienyl]sulfonylbenzene
CID 10570649
(4-methylphenyl)sulfonyl (2R)-2-aminobutanoate
CID 175192031
1-[(E)-2-fluoroethenyl]sulfonyl-4-methylbenzene
CID 13418310
1-[(E)-hex-1-enyl]sulfonyl-4-methylbenzene
CID 12556455

Frequently Asked Questions

What is the IUPAC name of [(E)-1-(4-methylphenyl)sulfonylpent-1-en-3-yl] acetate?
The IUPAC name of [(E)-1-(4-methylphenyl)sulfonylpent-1-en-3-yl] acetate (CID 14245590) is [(E)-1-(4-methylphenyl)sulfonylpent-1-en-3-yl] acetate.
What is the SMILES notation for [(E)-1-(4-methylphenyl)sulfonylpent-1-en-3-yl] acetate?
The canonical SMILES for [(E)-1-(4-methylphenyl)sulfonylpent-1-en-3-yl] acetate is CCC(/C=C/S(=O)(=O)c1ccc(C)cc1)OC(C)=O.
What is the InChIKey of [(E)-1-(4-methylphenyl)sulfonylpent-1-en-3-yl] acetate?
The InChIKey is RMQVEHRQOLARMH-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H18O4S/c1-4-13(18-12(3)15)9-10-19(16,17)14-7-5-11(2)6-8-14/h5-10,13H,4H2,1-3H3/b10-9+.
What are the key properties of [(E)-1-(4-methylphenyl)sulfonylpent-1-en-3-yl] acetate?
[(E)-1-(4-methylphenyl)sulfonylpent-1-en-3-yl] acetate has a molecular weight of 282.36 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(4-methylphenyl)sulfonylpent-1-en-3-yl] acetate is sourced from PubChem (CID 14245590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).