2-nonyl-1,3-thiazolidine

C12H25NS — CID 3087731

IUPAC2-nonyl-1,3-thiazolidine
SMILESCCCCCCCCCC1NCCS1
InChIInChI=1S/C12H25NS/c1-2-3-4-5-6-7-8-9-12-13-10-11-14-12/h12-13H,2-11H2,1H3
InChIKeyDOTWLKBBHRRWHT-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.79
Rot. Bonds8

About 2-nonyl-1,3-thiazolidine

2-nonyl-1,3-thiazolidine (PubChem CID 3087731) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 2-nonyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-nonyl-1,3-thiazolidine
PubChem CID3087731
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name2-nonyl-1,3-thiazolidine
SMILESCCCCCCCCCC1NCCS1
InChIInChI=1S/C12H25NS/c1-2-3-4-5-6-7-8-9-12-13-10-11-14-12/h12-13H,2-11H2,1H3
InChIKeyDOTWLKBBHRRWHT-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-nonyl-1,3-thiazolidine?
The IUPAC name of 2-nonyl-1,3-thiazolidine (CID 3087731) is 2-nonyl-1,3-thiazolidine.
What is the SMILES notation for 2-nonyl-1,3-thiazolidine?
The canonical SMILES for 2-nonyl-1,3-thiazolidine is CCCCCCCCCC1NCCS1.
What is the InChIKey of 2-nonyl-1,3-thiazolidine?
The InChIKey is DOTWLKBBHRRWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-2-3-4-5-6-7-8-9-12-13-10-11-14-12/h12-13H,2-11H2,1H3.
What are the key properties of 2-nonyl-1,3-thiazolidine?
2-nonyl-1,3-thiazolidine has a molecular weight of 215.41 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonyl-1,3-thiazolidine is sourced from PubChem (CID 3087731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).