3-(6-butylsulfanylhexyl)-1,3-thiazolidine;hydrochloride

C13H28ClNS2 — CID 3038870

IUPAC3-(6-butylsulfanylhexyl)-1,3-thiazolidine;hydrochloride
SMILESCCCCSCCCCCCN1CCSC1.Cl
InChIInChI=1S/C13H27NS2.ClH/c1-2-3-10-15-11-7-5-4-6-8-14-9-12-16-13-14;/h2-13H2,1H3;1H
InChIKeyGTEXCVCVRRYLRT-UHFFFAOYSA-N
MW297.96 g/mol
LogP4.51
Rot. Bonds10

About 3-(6-butylsulfanylhexyl)-1,3-thiazolidine;hydrochloride

3-(6-butylsulfanylhexyl)-1,3-thiazolidine;hydrochloride (PubChem CID 3038870) has the molecular formula C13H28ClNS2 and a molecular weight of 297.96 g/mol. Its IUPAC name is 3-(6-butylsulfanylhexyl)-1,3-thiazolidine;hydrochloride.

Molecular Properties

Compound Name3-(6-butylsulfanylhexyl)-1,3-thiazolidine;hydrochloride
PubChem CID3038870
Molecular FormulaC13H28ClNS2
Molecular Weight297.96 g/mol
Exact Mass297.14
IUPAC Name3-(6-butylsulfanylhexyl)-1,3-thiazolidine;hydrochloride
SMILESCCCCSCCCCCCN1CCSC1.Cl
InChIInChI=1S/C13H27NS2.ClH/c1-2-3-10-15-11-7-5-4-6-8-14-9-12-16-13-14;/h2-13H2,1H3;1H
InChIKeyGTEXCVCVRRYLRT-UHFFFAOYSA-N
XLogP4.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.96
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(6-butylsulfanylhexyl)-1,3-thiazolidine;hydrochloride 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-(6-butylsulfanylhexyl)-1,3-thiazolidine;hydrochloride?
The IUPAC name of 3-(6-butylsulfanylhexyl)-1,3-thiazolidine;hydrochloride (CID 3038870) is 3-(6-butylsulfanylhexyl)-1,3-thiazolidine;hydrochloride.
What is the SMILES notation for 3-(6-butylsulfanylhexyl)-1,3-thiazolidine;hydrochloride?
The canonical SMILES for 3-(6-butylsulfanylhexyl)-1,3-thiazolidine;hydrochloride is CCCCSCCCCCCN1CCSC1.Cl.
What is the InChIKey of 3-(6-butylsulfanylhexyl)-1,3-thiazolidine;hydrochloride?
The InChIKey is GTEXCVCVRRYLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS2.ClH/c1-2-3-10-15-11-7-5-4-6-8-14-9-12-16-13-14;/h2-13H2,1H3;1H.
What are the key properties of 3-(6-butylsulfanylhexyl)-1,3-thiazolidine;hydrochloride?
3-(6-butylsulfanylhexyl)-1,3-thiazolidine;hydrochloride has a molecular weight of 297.96 g/mol, XLogP of 4.51, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-butylsulfanylhexyl)-1,3-thiazolidine;hydrochloride is sourced from PubChem (CID 3038870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).