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

C15H32ClNS2 — CID 3038850

IUPAC3-(3-nonylsulfanylpropyl)-1,3-thiazolidine;hydrochloride
SMILESCCCCCCCCCSCCCN1CCSC1.Cl
InChIInChI=1S/C15H31NS2.ClH/c1-2-3-4-5-6-7-8-12-17-13-9-10-16-11-14-18-15-16;/h2-15H2,1H3;1H
InChIKeyBPEUAZQCLHIVHY-UHFFFAOYSA-N
MW326.02 g/mol
LogP5.29
Rot. Bonds12

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

3-(3-nonylsulfanylpropyl)-1,3-thiazolidine;hydrochloride (PubChem CID 3038850) has the molecular formula C15H32ClNS2 and a molecular weight of 326.02 g/mol. Its IUPAC name is 3-(3-nonylsulfanylpropyl)-1,3-thiazolidine;hydrochloride.

Molecular Properties

Compound Name3-(3-nonylsulfanylpropyl)-1,3-thiazolidine;hydrochloride
PubChem CID3038850
Molecular FormulaC15H32ClNS2
Molecular Weight326.02 g/mol
Exact Mass325.17
IUPAC Name3-(3-nonylsulfanylpropyl)-1,3-thiazolidine;hydrochloride
SMILESCCCCCCCCCSCCCN1CCSC1.Cl
InChIInChI=1S/C15H31NS2.ClH/c1-2-3-4-5-6-7-8-12-17-13-9-10-16-11-14-18-15-16;/h2-15H2,1H3;1H
InChIKeyBPEUAZQCLHIVHY-UHFFFAOYSA-N
XLogP5.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.02
LogP ≤ 55.29
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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Frequently Asked Questions

What is the IUPAC name of 3-(3-nonylsulfanylpropyl)-1,3-thiazolidine;hydrochloride?
The IUPAC name of 3-(3-nonylsulfanylpropyl)-1,3-thiazolidine;hydrochloride (CID 3038850) is 3-(3-nonylsulfanylpropyl)-1,3-thiazolidine;hydrochloride.
What is the SMILES notation for 3-(3-nonylsulfanylpropyl)-1,3-thiazolidine;hydrochloride?
The canonical SMILES for 3-(3-nonylsulfanylpropyl)-1,3-thiazolidine;hydrochloride is CCCCCCCCCSCCCN1CCSC1.Cl.
What is the InChIKey of 3-(3-nonylsulfanylpropyl)-1,3-thiazolidine;hydrochloride?
The InChIKey is BPEUAZQCLHIVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NS2.ClH/c1-2-3-4-5-6-7-8-12-17-13-9-10-16-11-14-18-15-16;/h2-15H2,1H3;1H.
What are the key properties of 3-(3-nonylsulfanylpropyl)-1,3-thiazolidine;hydrochloride?
3-(3-nonylsulfanylpropyl)-1,3-thiazolidine;hydrochloride has a molecular weight of 326.02 g/mol, XLogP of 5.29, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-nonylsulfanylpropyl)-1,3-thiazolidine;hydrochloride is sourced from PubChem (CID 3038850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).