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

C17H36ClNS2 — CID 3038878

IUPAC3-(6-octylsulfanylhexyl)-1,3-thiazolidine;hydrochloride
SMILESCCCCCCCCSCCCCCCN1CCSC1.Cl
InChIInChI=1S/C17H35NS2.ClH/c1-2-3-4-5-7-10-14-19-15-11-8-6-9-12-18-13-16-20-17-18;/h2-17H2,1H3;1H
InChIKeyJYNMKSDVPCAZCM-UHFFFAOYSA-N
MW354.07 g/mol
LogP6.07
Rot. Bonds14

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

3-(6-octylsulfanylhexyl)-1,3-thiazolidine;hydrochloride (PubChem CID 3038878) has the molecular formula C17H36ClNS2 and a molecular weight of 354.07 g/mol. Its IUPAC name is 3-(6-octylsulfanylhexyl)-1,3-thiazolidine;hydrochloride.

Molecular Properties

Compound Name3-(6-octylsulfanylhexyl)-1,3-thiazolidine;hydrochloride
PubChem CID3038878
Molecular FormulaC17H36ClNS2
Molecular Weight354.07 g/mol
Exact Mass353.20
IUPAC Name3-(6-octylsulfanylhexyl)-1,3-thiazolidine;hydrochloride
SMILESCCCCCCCCSCCCCCCN1CCSC1.Cl
InChIInChI=1S/C17H35NS2.ClH/c1-2-3-4-5-7-10-14-19-15-11-8-6-9-12-18-13-16-20-17-18;/h2-17H2,1H3;1H
InChIKeyJYNMKSDVPCAZCM-UHFFFAOYSA-N
XLogP6.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.07
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(6-octylsulfanylhexyl)-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-octylsulfanylhexyl)-1,3-thiazolidine;hydrochloride?
The IUPAC name of 3-(6-octylsulfanylhexyl)-1,3-thiazolidine;hydrochloride (CID 3038878) is 3-(6-octylsulfanylhexyl)-1,3-thiazolidine;hydrochloride.
What is the SMILES notation for 3-(6-octylsulfanylhexyl)-1,3-thiazolidine;hydrochloride?
The canonical SMILES for 3-(6-octylsulfanylhexyl)-1,3-thiazolidine;hydrochloride is CCCCCCCCSCCCCCCN1CCSC1.Cl.
What is the InChIKey of 3-(6-octylsulfanylhexyl)-1,3-thiazolidine;hydrochloride?
The InChIKey is JYNMKSDVPCAZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NS2.ClH/c1-2-3-4-5-7-10-14-19-15-11-8-6-9-12-18-13-16-20-17-18;/h2-17H2,1H3;1H.
What are the key properties of 3-(6-octylsulfanylhexyl)-1,3-thiazolidine;hydrochloride?
3-(6-octylsulfanylhexyl)-1,3-thiazolidine;hydrochloride has a molecular weight of 354.07 g/mol, XLogP of 6.07, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-octylsulfanylhexyl)-1,3-thiazolidine;hydrochloride is sourced from PubChem (CID 3038878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).