1-(1,3-thiazolidin-3-yl)dec-2-en-1-one

C13H23NOS — CID 123835401

IUPAC1-(1,3-thiazolidin-3-yl)dec-2-en-1-one
SMILESCCCCCCCC=CC(=O)N1CCSC1
InChIInChI=1S/C13H23NOS/c1-2-3-4-5-6-7-8-9-13(15)14-10-11-16-12-14/h8-9H,2-7,10-12H2,1H3
InChIKeyJYCNFFPRSQHTFA-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.44
Rot. Bonds7

About 1-(1,3-thiazolidin-3-yl)dec-2-en-1-one

1-(1,3-thiazolidin-3-yl)dec-2-en-1-one (PubChem CID 123835401) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 1-(1,3-thiazolidin-3-yl)dec-2-en-1-one.

Molecular Properties

Compound Name1-(1,3-thiazolidin-3-yl)dec-2-en-1-one
PubChem CID123835401
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name1-(1,3-thiazolidin-3-yl)dec-2-en-1-one
SMILESCCCCCCCC=CC(=O)N1CCSC1
InChIInChI=1S/C13H23NOS/c1-2-3-4-5-6-7-8-9-13(15)14-10-11-16-12-14/h8-9H,2-7,10-12H2,1H3
InChIKeyJYCNFFPRSQHTFA-UHFFFAOYSA-N
XLogP3.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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1-(4-hydroxypiperidin-1-yl)dec-2-en-1-one
CID 123727721
1-pyrrolidin-1-ylicosa-2,4,14-trien-1-one
CID 76515599
(2E,4E,12Z)-1-pyrrolidin-1-yloctadeca-2,4,12-trien-1-one
CID 57338317
(Z)-non-2-enamide
CID 97047009
bis(heptadec-2-enoic acid);zinc
CID 172555643
docosa-2,13-dienamide
CID 91597038
1-thiomorpholin-4-ylhexadecan-1-one
CID 54266223
undec-2-enoic acid
CID 519180
non-2-enoyl fluoride
CID 85320706

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazolidin-3-yl)dec-2-en-1-one?
The IUPAC name of 1-(1,3-thiazolidin-3-yl)dec-2-en-1-one (CID 123835401) is 1-(1,3-thiazolidin-3-yl)dec-2-en-1-one.
What is the SMILES notation for 1-(1,3-thiazolidin-3-yl)dec-2-en-1-one?
The canonical SMILES for 1-(1,3-thiazolidin-3-yl)dec-2-en-1-one is CCCCCCCC=CC(=O)N1CCSC1.
What is the InChIKey of 1-(1,3-thiazolidin-3-yl)dec-2-en-1-one?
The InChIKey is JYCNFFPRSQHTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-2-3-4-5-6-7-8-9-13(15)14-10-11-16-12-14/h8-9H,2-7,10-12H2,1H3.
What are the key properties of 1-(1,3-thiazolidin-3-yl)dec-2-en-1-one?
1-(1,3-thiazolidin-3-yl)dec-2-en-1-one has a molecular weight of 241.40 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazolidin-3-yl)dec-2-en-1-one is sourced from PubChem (CID 123835401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).