5-methyl-2-nonyl-1,3-thiazolidine

C13H27NS — CID 3087737

IUPAC5-methyl-2-nonyl-1,3-thiazolidine
SMILESCCCCCCCCCC1NCC(C)S1
InChIInChI=1S/C13H27NS/c1-3-4-5-6-7-8-9-10-13-14-11-12(2)15-13/h12-14H,3-11H2,1-2H3
InChIKeyJZNKHQKLZXYVQN-UHFFFAOYSA-N
MW229.43 g/mol
LogP4.18
Rot. Bonds8

About 5-methyl-2-nonyl-1,3-thiazolidine

5-methyl-2-nonyl-1,3-thiazolidine (PubChem CID 3087737) has the molecular formula C13H27NS and a molecular weight of 229.43 g/mol. Its IUPAC name is 5-methyl-2-nonyl-1,3-thiazolidine.

Molecular Properties

Compound Name5-methyl-2-nonyl-1,3-thiazolidine
PubChem CID3087737
Molecular FormulaC13H27NS
Molecular Weight229.43 g/mol
Exact Mass229.19
IUPAC Name5-methyl-2-nonyl-1,3-thiazolidine
SMILESCCCCCCCCCC1NCC(C)S1
InChIInChI=1S/C13H27NS/c1-3-4-5-6-7-8-9-10-13-14-11-12(2)15-13/h12-14H,3-11H2,1-2H3
InChIKeyJZNKHQKLZXYVQN-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.43
LogP ≤ 54.18
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 5-methyl-2-nonyl-1,3-thiazolidine?
The IUPAC name of 5-methyl-2-nonyl-1,3-thiazolidine (CID 3087737) is 5-methyl-2-nonyl-1,3-thiazolidine.
What is the SMILES notation for 5-methyl-2-nonyl-1,3-thiazolidine?
The canonical SMILES for 5-methyl-2-nonyl-1,3-thiazolidine is CCCCCCCCCC1NCC(C)S1.
What is the InChIKey of 5-methyl-2-nonyl-1,3-thiazolidine?
The InChIKey is JZNKHQKLZXYVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS/c1-3-4-5-6-7-8-9-10-13-14-11-12(2)15-13/h12-14H,3-11H2,1-2H3.
What are the key properties of 5-methyl-2-nonyl-1,3-thiazolidine?
5-methyl-2-nonyl-1,3-thiazolidine has a molecular weight of 229.43 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-nonyl-1,3-thiazolidine is sourced from PubChem (CID 3087737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).