2-oct-6-enyl-1,2-thiazolidine

C11H21NS — CID 54244879

IUPAC2-oct-6-enyl-1,2-thiazolidine
SMILESCC=CCCCCCN1CCCS1
InChIInChI=1S/C11H21NS/c1-2-3-4-5-6-7-9-12-10-8-11-13-12/h2-3H,4-11H2,1H3
InChIKeyQSNZQIHIYRDGHR-UHFFFAOYSA-N
MW199.36 g/mol
LogP3.48
Rot. Bonds6

About 2-oct-6-enyl-1,2-thiazolidine

2-oct-6-enyl-1,2-thiazolidine (PubChem CID 54244879) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 2-oct-6-enyl-1,2-thiazolidine.

Molecular Properties

Compound Name2-oct-6-enyl-1,2-thiazolidine
PubChem CID54244879
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name2-oct-6-enyl-1,2-thiazolidine
SMILESCC=CCCCCCN1CCCS1
InChIInChI=1S/C11H21NS/c1-2-3-4-5-6-7-9-12-10-8-11-13-12/h2-3H,4-11H2,1H3
InChIKeyQSNZQIHIYRDGHR-UHFFFAOYSA-N
XLogP3.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oct-6-enyl-1,2-thiazolidine?
The IUPAC name of 2-oct-6-enyl-1,2-thiazolidine (CID 54244879) is 2-oct-6-enyl-1,2-thiazolidine.
What is the SMILES notation for 2-oct-6-enyl-1,2-thiazolidine?
The canonical SMILES for 2-oct-6-enyl-1,2-thiazolidine is CC=CCCCCCN1CCCS1.
What is the InChIKey of 2-oct-6-enyl-1,2-thiazolidine?
The InChIKey is QSNZQIHIYRDGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-2-3-4-5-6-7-9-12-10-8-11-13-12/h2-3H,4-11H2,1H3.
What are the key properties of 2-oct-6-enyl-1,2-thiazolidine?
2-oct-6-enyl-1,2-thiazolidine has a molecular weight of 199.36 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oct-6-enyl-1,2-thiazolidine is sourced from PubChem (CID 54244879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).