3-(5-decylsulfanylpentyl)-1,3-thiazolidine;hydrochloride

C18H38ClNS2 — CID 3038864

IUPAC3-(5-decylsulfanylpentyl)-1,3-thiazolidine;hydrochloride
SMILESCCCCCCCCCCSCCCCCN1CCSC1.Cl
InChIInChI=1S/C18H37NS2.ClH/c1-2-3-4-5-6-7-8-11-15-20-16-12-9-10-13-19-14-17-21-18-19;/h2-18H2,1H3;1H
InChIKeyPYTDDYLZYYKESK-UHFFFAOYSA-N
MW368.10 g/mol
LogP6.46
Rot. Bonds15

About 3-(5-decylsulfanylpentyl)-1,3-thiazolidine;hydrochloride

3-(5-decylsulfanylpentyl)-1,3-thiazolidine;hydrochloride (PubChem CID 3038864) has the molecular formula C18H38ClNS2 and a molecular weight of 368.10 g/mol. Its IUPAC name is 3-(5-decylsulfanylpentyl)-1,3-thiazolidine;hydrochloride.

Molecular Properties

Compound Name3-(5-decylsulfanylpentyl)-1,3-thiazolidine;hydrochloride
PubChem CID3038864
Molecular FormulaC18H38ClNS2
Molecular Weight368.10 g/mol
Exact Mass367.21
IUPAC Name3-(5-decylsulfanylpentyl)-1,3-thiazolidine;hydrochloride
SMILESCCCCCCCCCCSCCCCCN1CCSC1.Cl
InChIInChI=1S/C18H37NS2.ClH/c1-2-3-4-5-6-7-8-11-15-20-16-12-9-10-13-19-14-17-21-18-19;/h2-18H2,1H3;1H
InChIKeyPYTDDYLZYYKESK-UHFFFAOYSA-N
XLogP6.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.10
LogP ≤ 56.46
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-(heptylthio)ethyl)-, hydrochloride
CID 3038836
Thiazolidine, 3-(2-(octylthio)ethyl)-, hydrochloride
CID 3038838
Thiazolidine, 3-(2-(nonylthio)ethyl)-, hydrochloride
CID 3038840
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-(3-(nonylthio)propyl)-, hydrochloride
CID 3038850
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

Frequently Asked Questions

What is the IUPAC name of 3-(5-decylsulfanylpentyl)-1,3-thiazolidine;hydrochloride?
The IUPAC name of 3-(5-decylsulfanylpentyl)-1,3-thiazolidine;hydrochloride (CID 3038864) is 3-(5-decylsulfanylpentyl)-1,3-thiazolidine;hydrochloride.
What is the SMILES notation for 3-(5-decylsulfanylpentyl)-1,3-thiazolidine;hydrochloride?
The canonical SMILES for 3-(5-decylsulfanylpentyl)-1,3-thiazolidine;hydrochloride is CCCCCCCCCCSCCCCCN1CCSC1.Cl.
What is the InChIKey of 3-(5-decylsulfanylpentyl)-1,3-thiazolidine;hydrochloride?
The InChIKey is PYTDDYLZYYKESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NS2.ClH/c1-2-3-4-5-6-7-8-11-15-20-16-12-9-10-13-19-14-17-21-18-19;/h2-18H2,1H3;1H.
What are the key properties of 3-(5-decylsulfanylpentyl)-1,3-thiazolidine;hydrochloride?
3-(5-decylsulfanylpentyl)-1,3-thiazolidine;hydrochloride has a molecular weight of 368.10 g/mol, XLogP of 6.46, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-decylsulfanylpentyl)-1,3-thiazolidine;hydrochloride is sourced from PubChem (CID 3038864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).