3-(5-hexylsulfanylpentyl)-1,3-thiazolidine

C14H29NS2 — CID 3038859

IUPAC3-(5-hexylsulfanylpentyl)-1,3-thiazolidine
SMILESCCCCCCSCCCCCN1CCSC1
InChIInChI=1S/C14H29NS2/c1-2-3-4-7-11-16-12-8-5-6-9-15-10-13-17-14-15/h2-14H2,1H3
InChIKeyQQXIJIFQOSUVLE-UHFFFAOYSA-N
MW275.53 g/mol
LogP4.48
Rot. Bonds11

About 3-(5-hexylsulfanylpentyl)-1,3-thiazolidine

3-(5-hexylsulfanylpentyl)-1,3-thiazolidine (PubChem CID 3038859) has the molecular formula C14H29NS2 and a molecular weight of 275.53 g/mol. Its IUPAC name is 3-(5-hexylsulfanylpentyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(5-hexylsulfanylpentyl)-1,3-thiazolidine
PubChem CID3038859
Molecular FormulaC14H29NS2
Molecular Weight275.53 g/mol
Exact Mass275.17
IUPAC Name3-(5-hexylsulfanylpentyl)-1,3-thiazolidine
SMILESCCCCCCSCCCCCN1CCSC1
InChIInChI=1S/C14H29NS2/c1-2-3-4-7-11-16-12-8-5-6-9-15-10-13-17-14-15/h2-14H2,1H3
InChIKeyQQXIJIFQOSUVLE-UHFFFAOYSA-N
XLogP4.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.53
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(5-hexylsulfanylpentyl)-1,3-thiazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-hexylsulfanylpentyl)-1,3-thiazolidine?
The IUPAC name of 3-(5-hexylsulfanylpentyl)-1,3-thiazolidine (CID 3038859) is 3-(5-hexylsulfanylpentyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(5-hexylsulfanylpentyl)-1,3-thiazolidine?
The canonical SMILES for 3-(5-hexylsulfanylpentyl)-1,3-thiazolidine is CCCCCCSCCCCCN1CCSC1.
What is the InChIKey of 3-(5-hexylsulfanylpentyl)-1,3-thiazolidine?
The InChIKey is QQXIJIFQOSUVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NS2/c1-2-3-4-7-11-16-12-8-5-6-9-15-10-13-17-14-15/h2-14H2,1H3.
What are the key properties of 3-(5-hexylsulfanylpentyl)-1,3-thiazolidine?
3-(5-hexylsulfanylpentyl)-1,3-thiazolidine has a molecular weight of 275.53 g/mol, XLogP of 4.48, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hexylsulfanylpentyl)-1,3-thiazolidine is sourced from PubChem (CID 3038859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).