1-morpholin-4-yldodecane-1-thione

C16H31NOS — CID 10379215

IUPAC1-morpholin-4-yldodecane-1-thione
SMILESCCCCCCCCCCCC(=S)N1CCOCC1
InChIInChI=1S/C16H31NOS/c1-2-3-4-5-6-7-8-9-10-11-16(19)17-12-14-18-15-13-17/h2-15H2,1H3
InChIKeyBFVXGSZJEYWYLT-UHFFFAOYSA-N
MW285.50 g/mol
LogP4.57
Rot. Bonds10

About 1-morpholin-4-yldodecane-1-thione

1-morpholin-4-yldodecane-1-thione (PubChem CID 10379215) has the molecular formula C16H31NOS and a molecular weight of 285.50 g/mol. Its IUPAC name is 1-morpholin-4-yldodecane-1-thione.

Molecular Properties

Compound Name1-morpholin-4-yldodecane-1-thione
PubChem CID10379215
Molecular FormulaC16H31NOS
Molecular Weight285.50 g/mol
Exact Mass285.21
IUPAC Name1-morpholin-4-yldodecane-1-thione
SMILESCCCCCCCCCCCC(=S)N1CCOCC1
InChIInChI=1S/C16H31NOS/c1-2-3-4-5-6-7-8-9-10-11-16(19)17-12-14-18-15-13-17/h2-15H2,1H3
InChIKeyBFVXGSZJEYWYLT-UHFFFAOYSA-N
XLogP4.57
TPSA12.47 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 ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yldodecane-1-thione?
The IUPAC name of 1-morpholin-4-yldodecane-1-thione (CID 10379215) is 1-morpholin-4-yldodecane-1-thione.
What is the SMILES notation for 1-morpholin-4-yldodecane-1-thione?
The canonical SMILES for 1-morpholin-4-yldodecane-1-thione is CCCCCCCCCCCC(=S)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yldodecane-1-thione?
The InChIKey is BFVXGSZJEYWYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NOS/c1-2-3-4-5-6-7-8-9-10-11-16(19)17-12-14-18-15-13-17/h2-15H2,1H3.
What are the key properties of 1-morpholin-4-yldodecane-1-thione?
1-morpholin-4-yldodecane-1-thione has a molecular weight of 285.50 g/mol, XLogP of 4.57, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yldodecane-1-thione is sourced from PubChem (CID 10379215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).