3-(3-butylsulfanylpropyl)-1,3-thiazolidine;hydrochloride

C10H22ClNS2 — CID 3038842

IUPAC3-(3-butylsulfanylpropyl)-1,3-thiazolidine;hydrochloride
SMILESCCCCSCCCN1CCSC1.Cl
InChIInChI=1S/C10H21NS2.ClH/c1-2-3-7-12-8-4-5-11-6-9-13-10-11;/h2-10H2,1H3;1H
InChIKeyBHUAIVHXNJWQMH-UHFFFAOYSA-N
MW255.88 g/mol
LogP3.34
Rot. Bonds7

About 3-(3-butylsulfanylpropyl)-1,3-thiazolidine;hydrochloride

3-(3-butylsulfanylpropyl)-1,3-thiazolidine;hydrochloride (PubChem CID 3038842) has the molecular formula C10H22ClNS2 and a molecular weight of 255.88 g/mol. Its IUPAC name is 3-(3-butylsulfanylpropyl)-1,3-thiazolidine;hydrochloride.

Molecular Properties

Compound Name3-(3-butylsulfanylpropyl)-1,3-thiazolidine;hydrochloride
PubChem CID3038842
Molecular FormulaC10H22ClNS2
Molecular Weight255.88 g/mol
Exact Mass255.09
IUPAC Name3-(3-butylsulfanylpropyl)-1,3-thiazolidine;hydrochloride
SMILESCCCCSCCCN1CCSC1.Cl
InChIInChI=1S/C10H21NS2.ClH/c1-2-3-7-12-8-4-5-11-6-9-13-10-11;/h2-10H2,1H3;1H
InChIKeyBHUAIVHXNJWQMH-UHFFFAOYSA-N
XLogP3.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.88
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-butylsulfanylpropyl)-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-(3-butylsulfanylpropyl)-1,3-thiazolidine;hydrochloride?
The IUPAC name of 3-(3-butylsulfanylpropyl)-1,3-thiazolidine;hydrochloride (CID 3038842) is 3-(3-butylsulfanylpropyl)-1,3-thiazolidine;hydrochloride.
What is the SMILES notation for 3-(3-butylsulfanylpropyl)-1,3-thiazolidine;hydrochloride?
The canonical SMILES for 3-(3-butylsulfanylpropyl)-1,3-thiazolidine;hydrochloride is CCCCSCCCN1CCSC1.Cl.
What is the InChIKey of 3-(3-butylsulfanylpropyl)-1,3-thiazolidine;hydrochloride?
The InChIKey is BHUAIVHXNJWQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS2.ClH/c1-2-3-7-12-8-4-5-11-6-9-13-10-11;/h2-10H2,1H3;1H.
What are the key properties of 3-(3-butylsulfanylpropyl)-1,3-thiazolidine;hydrochloride?
3-(3-butylsulfanylpropyl)-1,3-thiazolidine;hydrochloride has a molecular weight of 255.88 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butylsulfanylpropyl)-1,3-thiazolidine;hydrochloride is sourced from PubChem (CID 3038842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).