1-(2-sulfanylidene-1,3-thiazolidin-3-yl)dodecan-1-one

C15H27NOS2 — CID 11001114

IUPAC1-(2-sulfanylidene-1,3-thiazolidin-3-yl)dodecan-1-one
SMILESCCCCCCCCCCCC(=O)N1CCSC1=S
InChIInChI=1S/C15H27NOS2/c1-2-3-4-5-6-7-8-9-10-11-14(17)16-12-13-19-15(16)18/h2-13H2,1H3
InChIKeyZMYPQMFGUZQRDW-UHFFFAOYSA-N
MW301.52 g/mol
LogP4.77
Rot. Bonds10

About 1-(2-sulfanylidene-1,3-thiazolidin-3-yl)dodecan-1-one

1-(2-sulfanylidene-1,3-thiazolidin-3-yl)dodecan-1-one (PubChem CID 11001114) has the molecular formula C15H27NOS2 and a molecular weight of 301.52 g/mol. Its IUPAC name is 1-(2-sulfanylidene-1,3-thiazolidin-3-yl)dodecan-1-one.

Molecular Properties

Compound Name1-(2-sulfanylidene-1,3-thiazolidin-3-yl)dodecan-1-one
PubChem CID11001114
Molecular FormulaC15H27NOS2
Molecular Weight301.52 g/mol
Exact Mass301.15
IUPAC Name1-(2-sulfanylidene-1,3-thiazolidin-3-yl)dodecan-1-one
SMILESCCCCCCCCCCCC(=O)N1CCSC1=S
InChIInChI=1S/C15H27NOS2/c1-2-3-4-5-6-7-8-9-10-11-14(17)16-12-13-19-15(16)18/h2-13H2,1H3
InChIKeyZMYPQMFGUZQRDW-UHFFFAOYSA-N
XLogP4.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.52
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-sulfanylidene-1,3-thiazolidin-3-yl)dodecan-1-one?
The IUPAC name of 1-(2-sulfanylidene-1,3-thiazolidin-3-yl)dodecan-1-one (CID 11001114) is 1-(2-sulfanylidene-1,3-thiazolidin-3-yl)dodecan-1-one.
What is the SMILES notation for 1-(2-sulfanylidene-1,3-thiazolidin-3-yl)dodecan-1-one?
The canonical SMILES for 1-(2-sulfanylidene-1,3-thiazolidin-3-yl)dodecan-1-one is CCCCCCCCCCCC(=O)N1CCSC1=S.
What is the InChIKey of 1-(2-sulfanylidene-1,3-thiazolidin-3-yl)dodecan-1-one?
The InChIKey is ZMYPQMFGUZQRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NOS2/c1-2-3-4-5-6-7-8-9-10-11-14(17)16-12-13-19-15(16)18/h2-13H2,1H3.
What are the key properties of 1-(2-sulfanylidene-1,3-thiazolidin-3-yl)dodecan-1-one?
1-(2-sulfanylidene-1,3-thiazolidin-3-yl)dodecan-1-one has a molecular weight of 301.52 g/mol, XLogP of 4.77, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-sulfanylidene-1,3-thiazolidin-3-yl)dodecan-1-one is sourced from PubChem (CID 11001114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).