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

C11H23NS2 — CID 3038855

IUPAC3-(5-propylsulfanylpentyl)-1,3-thiazolidine
SMILESCCCSCCCCCN1CCSC1
InChIInChI=1S/C11H23NS2/c1-2-8-13-9-5-3-4-6-12-7-10-14-11-12/h2-11H2,1H3
InChIKeyLRMGFUMHZRKVMZ-UHFFFAOYSA-N
MW233.45 g/mol
LogP3.31
Rot. Bonds8

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

3-(5-propylsulfanylpentyl)-1,3-thiazolidine (PubChem CID 3038855) has the molecular formula C11H23NS2 and a molecular weight of 233.45 g/mol. Its IUPAC name is 3-(5-propylsulfanylpentyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(5-propylsulfanylpentyl)-1,3-thiazolidine
PubChem CID3038855
Molecular FormulaC11H23NS2
Molecular Weight233.45 g/mol
Exact Mass233.13
IUPAC Name3-(5-propylsulfanylpentyl)-1,3-thiazolidine
SMILESCCCSCCCCCN1CCSC1
InChIInChI=1S/C11H23NS2/c1-2-8-13-9-5-3-4-6-12-7-10-14-11-12/h2-11H2,1H3
InChIKeyLRMGFUMHZRKVMZ-UHFFFAOYSA-N
XLogP3.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.45
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Thiazolidine, 3-(5-(pentylthio)pentyl)-, hydrochloride
CID 218549
Thiazolidine, 3-(2-(hexylthio)ethyl)-, hydrochloride
CID 3038834
Thiazolidine, 3-(2-(heptylthio)ethyl)-, hydrochloride
CID 3038836
Thiazolidine, 3-(3-(butylthio)propyl)-, hydrochloride
CID 3038842
Thiazolidine, 3-(3-(hexylthio)propyl)-, hydrochloride
CID 3038844
Thiazolidine, 3-(3-(heptylthio)propyl)-, hydrochloride
CID 3038846
Thiazolidine, 3-(3-(octylthio)propyl)-, hydrochloride
CID 3038848
Thiazolidine, 3-(4-(heptylthio)butyl)-, hydrochloride
CID 3038852
Thiazolidine, 3-(5-(propylthio)pentyl)-, hydrochloride
CID 3038854
Thiazolidine, 3-(5-(butylthio)pentyl)-, hydrochloride
CID 3038856
Thiazolidine, 3-(5-(hexylthio)pentyl)-, hydrochloride
CID 3038858
Thiazolidine, 3-(5-(heptylthio)pentyl)-, hydrochloride
CID 3038860

Frequently Asked Questions

What is the IUPAC name of 3-(5-propylsulfanylpentyl)-1,3-thiazolidine?
The IUPAC name of 3-(5-propylsulfanylpentyl)-1,3-thiazolidine (CID 3038855) is 3-(5-propylsulfanylpentyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(5-propylsulfanylpentyl)-1,3-thiazolidine?
The canonical SMILES for 3-(5-propylsulfanylpentyl)-1,3-thiazolidine is CCCSCCCCCN1CCSC1.
What is the InChIKey of 3-(5-propylsulfanylpentyl)-1,3-thiazolidine?
The InChIKey is LRMGFUMHZRKVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS2/c1-2-8-13-9-5-3-4-6-12-7-10-14-11-12/h2-11H2,1H3.
What are the key properties of 3-(5-propylsulfanylpentyl)-1,3-thiazolidine?
3-(5-propylsulfanylpentyl)-1,3-thiazolidine has a molecular weight of 233.45 g/mol, XLogP of 3.31, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-propylsulfanylpentyl)-1,3-thiazolidine is sourced from PubChem (CID 3038855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).