1-thiomorpholin-4-yldodecan-1-one

C16H31NOS — CID 11778705

IUPAC1-thiomorpholin-4-yldodecan-1-one
SMILESCCCCCCCCCCCC(=O)N1CCSCC1
InChIInChI=1S/C16H31NOS/c1-2-3-4-5-6-7-8-9-10-11-16(18)17-12-14-19-15-13-17/h2-15H2,1H3
InChIKeyYDGIRWHOXUZWKZ-UHFFFAOYSA-N
MW285.50 g/mol
LogP4.48
Rot. Bonds10

About 1-thiomorpholin-4-yldodecan-1-one

1-thiomorpholin-4-yldodecan-1-one (PubChem CID 11778705) has the molecular formula C16H31NOS and a molecular weight of 285.50 g/mol. Its IUPAC name is 1-thiomorpholin-4-yldodecan-1-one.

Molecular Properties

Compound Name1-thiomorpholin-4-yldodecan-1-one
PubChem CID11778705
Molecular FormulaC16H31NOS
Molecular Weight285.50 g/mol
Exact Mass285.21
IUPAC Name1-thiomorpholin-4-yldodecan-1-one
SMILESCCCCCCCCCCCC(=O)N1CCSCC1
InChIInChI=1S/C16H31NOS/c1-2-3-4-5-6-7-8-9-10-11-16(18)17-12-14-19-15-13-17/h2-15H2,1H3
InChIKeyYDGIRWHOXUZWKZ-UHFFFAOYSA-N
XLogP4.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.50
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-thiomorpholin-4-yldodecan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-thiomorpholin-4-yldodecan-1-one?
The IUPAC name of 1-thiomorpholin-4-yldodecan-1-one (CID 11778705) is 1-thiomorpholin-4-yldodecan-1-one.
What is the SMILES notation for 1-thiomorpholin-4-yldodecan-1-one?
The canonical SMILES for 1-thiomorpholin-4-yldodecan-1-one is CCCCCCCCCCCC(=O)N1CCSCC1.
What is the InChIKey of 1-thiomorpholin-4-yldodecan-1-one?
The InChIKey is YDGIRWHOXUZWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NOS/c1-2-3-4-5-6-7-8-9-10-11-16(18)17-12-14-19-15-13-17/h2-15H2,1H3.
What are the key properties of 1-thiomorpholin-4-yldodecan-1-one?
1-thiomorpholin-4-yldodecan-1-one has a molecular weight of 285.50 g/mol, XLogP of 4.48, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiomorpholin-4-yldodecan-1-one is sourced from PubChem (CID 11778705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).