4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]thiomorpholine

C14H19NOS — CID 783742

IUPAC4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]thiomorpholine
SMILESCOc1ccccc1/C=C/CN1CCSCC1
InChIInChI=1S/C14H19NOS/c1-16-14-7-3-2-5-13(14)6-4-8-15-9-11-17-12-10-15/h2-7H,8-12H2,1H3/b6-4+
InChIKeyAMMOMAORSKJZTH-GQCTYLIASA-N
MW249.38 g/mol
LogP2.76
Rot. Bonds4

About 4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]thiomorpholine

4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]thiomorpholine (PubChem CID 783742) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is 4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]thiomorpholine.

Molecular Properties

Compound Name4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]thiomorpholine
PubChem CID783742
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]thiomorpholine
SMILESCOc1ccccc1/C=C/CN1CCSCC1
InChIInChI=1S/C14H19NOS/c1-16-14-7-3-2-5-13(14)6-4-8-15-9-11-17-12-10-15/h2-7H,8-12H2,1H3/b6-4+
InChIKeyAMMOMAORSKJZTH-GQCTYLIASA-N
XLogP2.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]thiomorpholine?
The IUPAC name of 4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]thiomorpholine (CID 783742) is 4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]thiomorpholine.
What is the SMILES notation for 4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]thiomorpholine?
The canonical SMILES for 4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]thiomorpholine is COc1ccccc1/C=C/CN1CCSCC1.
What is the InChIKey of 4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]thiomorpholine?
The InChIKey is AMMOMAORSKJZTH-GQCTYLIASA-N. The full InChI is InChI=1S/C14H19NOS/c1-16-14-7-3-2-5-13(14)6-4-8-15-9-11-17-12-10-15/h2-7H,8-12H2,1H3/b6-4+.
What are the key properties of 4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]thiomorpholine?
4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]thiomorpholine has a molecular weight of 249.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]thiomorpholine is sourced from PubChem (CID 783742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).