3-hexyl-1,3-thiazolidine

C9H19NS — CID 19891807

IUPAC3-hexyl-1,3-thiazolidine
SMILESCCCCCCN1CCSC1
InChIInChI=1S/C9H19NS/c1-2-3-4-5-6-10-7-8-11-9-10/h2-9H2,1H3
InChIKeyJASDOUZJQIGGLQ-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.57
Rot. Bonds5

About 3-hexyl-1,3-thiazolidine

3-hexyl-1,3-thiazolidine (PubChem CID 19891807) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 3-hexyl-1,3-thiazolidine.

Molecular Properties

Compound Name3-hexyl-1,3-thiazolidine
PubChem CID19891807
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name3-hexyl-1,3-thiazolidine
SMILESCCCCCCN1CCSC1
InChIInChI=1S/C9H19NS/c1-2-3-4-5-6-10-7-8-11-9-10/h2-9H2,1H3
InChIKeyJASDOUZJQIGGLQ-UHFFFAOYSA-N
XLogP2.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.57
H-Bond Donors ≤ 50
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 3-hexyl-1,3-thiazolidine?
The IUPAC name of 3-hexyl-1,3-thiazolidine (CID 19891807) is 3-hexyl-1,3-thiazolidine.
What is the SMILES notation for 3-hexyl-1,3-thiazolidine?
The canonical SMILES for 3-hexyl-1,3-thiazolidine is CCCCCCN1CCSC1.
What is the InChIKey of 3-hexyl-1,3-thiazolidine?
The InChIKey is JASDOUZJQIGGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-2-3-4-5-6-10-7-8-11-9-10/h2-9H2,1H3.
What are the key properties of 3-hexyl-1,3-thiazolidine?
3-hexyl-1,3-thiazolidine has a molecular weight of 173.32 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-1,3-thiazolidine is sourced from PubChem (CID 19891807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).