3-phenylprop-2-enyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate

C15H19NO4S — CID 91939030

IUPAC3-phenylprop-2-enyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
SMILESO=C(CN1CCS(=O)(=O)CC1)OCC=Cc1ccccc1
InChIInChI=1S/C15H19NO4S/c17-15(13-16-8-11-21(18,19)12-9-16)20-10-4-7-14-5-2-1-3-6-14/h1-7H,8-13H2
InChIKeyLHLACIVGXBSMGF-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.97
Rot. Bonds5

About 3-phenylprop-2-enyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate

3-phenylprop-2-enyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate (PubChem CID 91939030) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-phenylprop-2-enyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate.

Molecular Properties

Compound Name3-phenylprop-2-enyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
PubChem CID91939030
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name3-phenylprop-2-enyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
SMILESO=C(CN1CCS(=O)(=O)CC1)OCC=Cc1ccccc1
InChIInChI=1S/C15H19NO4S/c17-15(13-16-8-11-21(18,19)12-9-16)20-10-4-7-14-5-2-1-3-6-14/h1-7H,8-13H2
InChIKeyLHLACIVGXBSMGF-UHFFFAOYSA-N
XLogP0.97
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

bis[(E)-3-phenylprop-2-enyl] (Z)-but-2-enedioate
CID 70543374
(2-chlorophenyl)methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
CID 52600368
bis(3-phenylprop-2-enyl) 2-hydroxybutanedioate
CID 86005171
3-phenylprop-2-enyl butanoate;[(E)-3-phenylprop-2-enyl] butanoate
CID 89428693
6-oxo-6-(3-phenylprop-2-enoxy)hexanoic acid
CID 154188751
ethyl 2-[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-8-yl]acetate
CID 91940042
dimethyl-[2-oxo-2-(3-phenylprop-2-enoxy)ethyl]azanium chloride
CID 143304619
ethyl 2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]acetate
CID 6445279
methane;[(E)-3-phenylprop-2-enyl] acetate
CID 161124319
methane;3-phenylprop-2-enyl acetate
CID 161251880
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
4-[(E)-2-phenylethenyl]-1,4-thiazinane 1,1-dioxide
CID 58283179

Frequently Asked Questions

What is the IUPAC name of 3-phenylprop-2-enyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
The IUPAC name of 3-phenylprop-2-enyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate (CID 91939030) is 3-phenylprop-2-enyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate.
What is the SMILES notation for 3-phenylprop-2-enyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
The canonical SMILES for 3-phenylprop-2-enyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate is O=C(CN1CCS(=O)(=O)CC1)OCC=Cc1ccccc1.
What is the InChIKey of 3-phenylprop-2-enyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
The InChIKey is LHLACIVGXBSMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c17-15(13-16-8-11-21(18,19)12-9-16)20-10-4-7-14-5-2-1-3-6-14/h1-7H,8-13H2.
What are the key properties of 3-phenylprop-2-enyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
3-phenylprop-2-enyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate has a molecular weight of 309.39 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylprop-2-enyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate is sourced from PubChem (CID 91939030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).