3-(4-heptylsulfanylbutyl)-1,3-thiazolidine;hydrochloride

C14H30ClNS2 — CID 3038852

IUPAC3-(4-heptylsulfanylbutyl)-1,3-thiazolidine;hydrochloride
SMILESCCCCCCCSCCCCN1CCSC1.Cl
InChIInChI=1S/C14H29NS2.ClH/c1-2-3-4-5-7-11-16-12-8-6-9-15-10-13-17-14-15;/h2-14H2,1H3;1H
InChIKeyBOZCACJUSDJWPC-UHFFFAOYSA-N
MW311.99 g/mol
LogP4.90
Rot. Bonds11

About 3-(4-heptylsulfanylbutyl)-1,3-thiazolidine;hydrochloride

3-(4-heptylsulfanylbutyl)-1,3-thiazolidine;hydrochloride (PubChem CID 3038852) has the molecular formula C14H30ClNS2 and a molecular weight of 311.99 g/mol. Its IUPAC name is 3-(4-heptylsulfanylbutyl)-1,3-thiazolidine;hydrochloride.

Molecular Properties

Compound Name3-(4-heptylsulfanylbutyl)-1,3-thiazolidine;hydrochloride
PubChem CID3038852
Molecular FormulaC14H30ClNS2
Molecular Weight311.99 g/mol
Exact Mass311.15
IUPAC Name3-(4-heptylsulfanylbutyl)-1,3-thiazolidine;hydrochloride
SMILESCCCCCCCSCCCCN1CCSC1.Cl
InChIInChI=1S/C14H29NS2.ClH/c1-2-3-4-5-7-11-16-12-8-6-9-15-10-13-17-14-15;/h2-14H2,1H3;1H
InChIKeyBOZCACJUSDJWPC-UHFFFAOYSA-N
XLogP4.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.99
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-heptylsulfanylbutyl)-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-(4-heptylsulfanylbutyl)-1,3-thiazolidine;hydrochloride?
The IUPAC name of 3-(4-heptylsulfanylbutyl)-1,3-thiazolidine;hydrochloride (CID 3038852) is 3-(4-heptylsulfanylbutyl)-1,3-thiazolidine;hydrochloride.
What is the SMILES notation for 3-(4-heptylsulfanylbutyl)-1,3-thiazolidine;hydrochloride?
The canonical SMILES for 3-(4-heptylsulfanylbutyl)-1,3-thiazolidine;hydrochloride is CCCCCCCSCCCCN1CCSC1.Cl.
What is the InChIKey of 3-(4-heptylsulfanylbutyl)-1,3-thiazolidine;hydrochloride?
The InChIKey is BOZCACJUSDJWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NS2.ClH/c1-2-3-4-5-7-11-16-12-8-6-9-15-10-13-17-14-15;/h2-14H2,1H3;1H.
What are the key properties of 3-(4-heptylsulfanylbutyl)-1,3-thiazolidine;hydrochloride?
3-(4-heptylsulfanylbutyl)-1,3-thiazolidine;hydrochloride has a molecular weight of 311.99 g/mol, XLogP of 4.90, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-heptylsulfanylbutyl)-1,3-thiazolidine;hydrochloride is sourced from PubChem (CID 3038852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).