[2-(2-methoxyethylsulfanyl)phenyl]-morpholin-4-ylmethanone

C14H19NO3S — CID 2218456

IUPAC[2-(2-methoxyethylsulfanyl)phenyl]-morpholin-4-ylmethanone
SMILESCOCCSc1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C14H19NO3S/c1-17-10-11-19-13-5-3-2-4-12(13)14(16)15-6-8-18-9-7-15/h2-5H,6-11H2,1H3
InChIKeyMAPUIEAQTFWNSB-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.90
Rot. Bonds5

About [2-(2-methoxyethylsulfanyl)phenyl]-morpholin-4-ylmethanone

[2-(2-methoxyethylsulfanyl)phenyl]-morpholin-4-ylmethanone (PubChem CID 2218456) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is [2-(2-methoxyethylsulfanyl)phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(2-methoxyethylsulfanyl)phenyl]-morpholin-4-ylmethanone
PubChem CID2218456
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name[2-(2-methoxyethylsulfanyl)phenyl]-morpholin-4-ylmethanone
SMILESCOCCSc1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C14H19NO3S/c1-17-10-11-19-13-5-3-2-4-12(13)14(16)15-6-8-18-9-7-15/h2-5H,6-11H2,1H3
InChIKeyMAPUIEAQTFWNSB-UHFFFAOYSA-N
XLogP1.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylsulfanyl)phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(2-methoxyethylsulfanyl)phenyl]-morpholin-4-ylmethanone (CID 2218456) is [2-(2-methoxyethylsulfanyl)phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(2-methoxyethylsulfanyl)phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(2-methoxyethylsulfanyl)phenyl]-morpholin-4-ylmethanone is COCCSc1ccccc1C(=O)N1CCOCC1.
What is the InChIKey of [2-(2-methoxyethylsulfanyl)phenyl]-morpholin-4-ylmethanone?
The InChIKey is MAPUIEAQTFWNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-17-10-11-19-13-5-3-2-4-12(13)14(16)15-6-8-18-9-7-15/h2-5H,6-11H2,1H3.
What are the key properties of [2-(2-methoxyethylsulfanyl)phenyl]-morpholin-4-ylmethanone?
[2-(2-methoxyethylsulfanyl)phenyl]-morpholin-4-ylmethanone has a molecular weight of 281.38 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylsulfanyl)phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 2218456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).