6-prop-2-enyl-3-[1-(4-sulfanylphenyl)ethyl]-1,3-oxazinan-2-one

C15H19NO2S — CID 143755197

IUPAC6-prop-2-enyl-3-[1-(4-sulfanylphenyl)ethyl]-1,3-oxazinan-2-one
SMILESC=CCC1CCN(C(C)c2ccc(S)cc2)C(=O)O1
InChIInChI=1S/C15H19NO2S/c1-3-4-13-9-10-16(15(17)18-13)11(2)12-5-7-14(19)8-6-12/h3,5-8,11,13,19H,1,4,9-10H2,2H3
InChIKeyMZSFTGHXPRFLFX-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.82
Rot. Bonds4

About 6-prop-2-enyl-3-[1-(4-sulfanylphenyl)ethyl]-1,3-oxazinan-2-one

6-prop-2-enyl-3-[1-(4-sulfanylphenyl)ethyl]-1,3-oxazinan-2-one (PubChem CID 143755197) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 6-prop-2-enyl-3-[1-(4-sulfanylphenyl)ethyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name6-prop-2-enyl-3-[1-(4-sulfanylphenyl)ethyl]-1,3-oxazinan-2-one
PubChem CID143755197
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name6-prop-2-enyl-3-[1-(4-sulfanylphenyl)ethyl]-1,3-oxazinan-2-one
SMILESC=CCC1CCN(C(C)c2ccc(S)cc2)C(=O)O1
InChIInChI=1S/C15H19NO2S/c1-3-4-13-9-10-16(15(17)18-13)11(2)12-5-7-14(19)8-6-12/h3,5-8,11,13,19H,1,4,9-10H2,2H3
InChIKeyMZSFTGHXPRFLFX-UHFFFAOYSA-N
XLogP3.82
TPSA29.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-prop-2-enyl-3-[1-(4-sulfanylphenyl)ethyl]-1,3-oxazinan-2-one?
The IUPAC name of 6-prop-2-enyl-3-[1-(4-sulfanylphenyl)ethyl]-1,3-oxazinan-2-one (CID 143755197) is 6-prop-2-enyl-3-[1-(4-sulfanylphenyl)ethyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 6-prop-2-enyl-3-[1-(4-sulfanylphenyl)ethyl]-1,3-oxazinan-2-one?
The canonical SMILES for 6-prop-2-enyl-3-[1-(4-sulfanylphenyl)ethyl]-1,3-oxazinan-2-one is C=CCC1CCN(C(C)c2ccc(S)cc2)C(=O)O1.
What is the InChIKey of 6-prop-2-enyl-3-[1-(4-sulfanylphenyl)ethyl]-1,3-oxazinan-2-one?
The InChIKey is MZSFTGHXPRFLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-3-4-13-9-10-16(15(17)18-13)11(2)12-5-7-14(19)8-6-12/h3,5-8,11,13,19H,1,4,9-10H2,2H3.
What are the key properties of 6-prop-2-enyl-3-[1-(4-sulfanylphenyl)ethyl]-1,3-oxazinan-2-one?
6-prop-2-enyl-3-[1-(4-sulfanylphenyl)ethyl]-1,3-oxazinan-2-one has a molecular weight of 277.39 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-enyl-3-[1-(4-sulfanylphenyl)ethyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 143755197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).