3-(5-butylsulfanylpentyl)-1,3-thiazolidine

C12H25NS2 — CID 3038857

IUPAC3-(5-butylsulfanylpentyl)-1,3-thiazolidine
SMILESCCCCSCCCCCN1CCSC1
InChIInChI=1S/C12H25NS2/c1-2-3-9-14-10-6-4-5-7-13-8-11-15-12-13/h2-12H2,1H3
InChIKeyMGAYOFBZKDBMOM-UHFFFAOYSA-N
MW247.47 g/mol
LogP3.70
Rot. Bonds9

About 3-(5-butylsulfanylpentyl)-1,3-thiazolidine

3-(5-butylsulfanylpentyl)-1,3-thiazolidine (PubChem CID 3038857) has the molecular formula C12H25NS2 and a molecular weight of 247.47 g/mol. Its IUPAC name is 3-(5-butylsulfanylpentyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(5-butylsulfanylpentyl)-1,3-thiazolidine
PubChem CID3038857
Molecular FormulaC12H25NS2
Molecular Weight247.47 g/mol
Exact Mass247.14
IUPAC Name3-(5-butylsulfanylpentyl)-1,3-thiazolidine
SMILESCCCCSCCCCCN1CCSC1
InChIInChI=1S/C12H25NS2/c1-2-3-9-14-10-6-4-5-7-13-8-11-15-12-13/h2-12H2,1H3
InChIKeyMGAYOFBZKDBMOM-UHFFFAOYSA-N
XLogP3.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.47
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(5-butylsulfanylpentyl)-1,3-thiazolidine 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-(5-butylsulfanylpentyl)-1,3-thiazolidine?
The IUPAC name of 3-(5-butylsulfanylpentyl)-1,3-thiazolidine (CID 3038857) is 3-(5-butylsulfanylpentyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(5-butylsulfanylpentyl)-1,3-thiazolidine?
The canonical SMILES for 3-(5-butylsulfanylpentyl)-1,3-thiazolidine is CCCCSCCCCCN1CCSC1.
What is the InChIKey of 3-(5-butylsulfanylpentyl)-1,3-thiazolidine?
The InChIKey is MGAYOFBZKDBMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS2/c1-2-3-9-14-10-6-4-5-7-13-8-11-15-12-13/h2-12H2,1H3.
What are the key properties of 3-(5-butylsulfanylpentyl)-1,3-thiazolidine?
3-(5-butylsulfanylpentyl)-1,3-thiazolidine has a molecular weight of 247.47 g/mol, XLogP of 3.70, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-butylsulfanylpentyl)-1,3-thiazolidine is sourced from PubChem (CID 3038857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).