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

C16H34ClNS2 — CID 3038876

IUPAC3-(6-heptylsulfanylhexyl)-1,3-thiazolidine;hydrochloride
SMILESCCCCCCCSCCCCCCN1CCSC1.Cl
InChIInChI=1S/C16H33NS2.ClH/c1-2-3-4-6-9-13-18-14-10-7-5-8-11-17-12-15-19-16-17;/h2-16H2,1H3;1H
InChIKeyJUIYSFPOULFJDP-UHFFFAOYSA-N
MW340.04 g/mol
LogP5.68
Rot. Bonds13

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

3-(6-heptylsulfanylhexyl)-1,3-thiazolidine;hydrochloride (PubChem CID 3038876) has the molecular formula C16H34ClNS2 and a molecular weight of 340.04 g/mol. Its IUPAC name is 3-(6-heptylsulfanylhexyl)-1,3-thiazolidine;hydrochloride.

Molecular Properties

Compound Name3-(6-heptylsulfanylhexyl)-1,3-thiazolidine;hydrochloride
PubChem CID3038876
Molecular FormulaC16H34ClNS2
Molecular Weight340.04 g/mol
Exact Mass339.18
IUPAC Name3-(6-heptylsulfanylhexyl)-1,3-thiazolidine;hydrochloride
SMILESCCCCCCCSCCCCCCN1CCSC1.Cl
InChIInChI=1S/C16H33NS2.ClH/c1-2-3-4-6-9-13-18-14-10-7-5-8-11-17-12-15-19-16-17;/h2-16H2,1H3;1H
InChIKeyJUIYSFPOULFJDP-UHFFFAOYSA-N
XLogP5.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.04
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(6-heptylsulfanylhexyl)-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

Related Compounds

3-(6-hexylsulfanylhexyl)-1,3-thiazolidine;hydrochloride
CID 3038874
3-(3-heptylsulfanylpropyl)-1,3-thiazolidine;hydrochloride
CID 3038846
1-octadecylsulfanyloctacosane
CID 87077538
1-hexylsulfanyl-8-pentylsulfanyloctane
CID 167032436
1-nonylsulfanyldodecane
CID 87077738
1-dodecylsulfanylicosane
CID 87077505
1-tetracosylsulfanyloctacosane
CID 87077758
1-hexylsulfanylicosane
CID 87077585
1-hexylsulfanyloctane
CID 15742910
1-hexylsulfanyloctadecane
CID 21424485
1-hexylsulfanyltetradecane
CID 87077491
1-tetracosylsulfanyltetracosane
CID 14647813

Frequently Asked Questions

What is the IUPAC name of 3-(6-heptylsulfanylhexyl)-1,3-thiazolidine;hydrochloride?
The IUPAC name of 3-(6-heptylsulfanylhexyl)-1,3-thiazolidine;hydrochloride (CID 3038876) is 3-(6-heptylsulfanylhexyl)-1,3-thiazolidine;hydrochloride.
What is the SMILES notation for 3-(6-heptylsulfanylhexyl)-1,3-thiazolidine;hydrochloride?
The canonical SMILES for 3-(6-heptylsulfanylhexyl)-1,3-thiazolidine;hydrochloride is CCCCCCCSCCCCCCN1CCSC1.Cl.
What is the InChIKey of 3-(6-heptylsulfanylhexyl)-1,3-thiazolidine;hydrochloride?
The InChIKey is JUIYSFPOULFJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NS2.ClH/c1-2-3-4-6-9-13-18-14-10-7-5-8-11-17-12-15-19-16-17;/h2-16H2,1H3;1H.
What are the key properties of 3-(6-heptylsulfanylhexyl)-1,3-thiazolidine;hydrochloride?
3-(6-heptylsulfanylhexyl)-1,3-thiazolidine;hydrochloride has a molecular weight of 340.04 g/mol, XLogP of 5.68, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-heptylsulfanylhexyl)-1,3-thiazolidine;hydrochloride is sourced from PubChem (CID 3038876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).