3-(6-nonylsulfanylhexyl)-1,3-thiazolidine;hydrochloride

C18H38ClNS2 — CID 3038880

IUPAC3-(6-nonylsulfanylhexyl)-1,3-thiazolidine;hydrochloride
SMILESCCCCCCCCCSCCCCCCN1CCSC1.Cl
InChIInChI=1S/C18H37NS2.ClH/c1-2-3-4-5-6-8-11-15-20-16-12-9-7-10-13-19-14-17-21-18-19;/h2-18H2,1H3;1H
InChIKeyYNAKDCXETKZUAM-UHFFFAOYSA-N
MW368.10 g/mol
LogP6.46
Rot. Bonds15

About 3-(6-nonylsulfanylhexyl)-1,3-thiazolidine;hydrochloride

3-(6-nonylsulfanylhexyl)-1,3-thiazolidine;hydrochloride (PubChem CID 3038880) has the molecular formula C18H38ClNS2 and a molecular weight of 368.10 g/mol. Its IUPAC name is 3-(6-nonylsulfanylhexyl)-1,3-thiazolidine;hydrochloride.

Molecular Properties

Compound Name3-(6-nonylsulfanylhexyl)-1,3-thiazolidine;hydrochloride
PubChem CID3038880
Molecular FormulaC18H38ClNS2
Molecular Weight368.10 g/mol
Exact Mass367.21
IUPAC Name3-(6-nonylsulfanylhexyl)-1,3-thiazolidine;hydrochloride
SMILESCCCCCCCCCSCCCCCCN1CCSC1.Cl
InChIInChI=1S/C18H37NS2.ClH/c1-2-3-4-5-6-8-11-15-20-16-12-9-7-10-13-19-14-17-21-18-19;/h2-18H2,1H3;1H
InChIKeyYNAKDCXETKZUAM-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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Frequently Asked Questions

What is the IUPAC name of 3-(6-nonylsulfanylhexyl)-1,3-thiazolidine;hydrochloride?
The IUPAC name of 3-(6-nonylsulfanylhexyl)-1,3-thiazolidine;hydrochloride (CID 3038880) is 3-(6-nonylsulfanylhexyl)-1,3-thiazolidine;hydrochloride.
What is the SMILES notation for 3-(6-nonylsulfanylhexyl)-1,3-thiazolidine;hydrochloride?
The canonical SMILES for 3-(6-nonylsulfanylhexyl)-1,3-thiazolidine;hydrochloride is CCCCCCCCCSCCCCCCN1CCSC1.Cl.
What is the InChIKey of 3-(6-nonylsulfanylhexyl)-1,3-thiazolidine;hydrochloride?
The InChIKey is YNAKDCXETKZUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NS2.ClH/c1-2-3-4-5-6-8-11-15-20-16-12-9-7-10-13-19-14-17-21-18-19;/h2-18H2,1H3;1H.
What are the key properties of 3-(6-nonylsulfanylhexyl)-1,3-thiazolidine;hydrochloride?
3-(6-nonylsulfanylhexyl)-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-(6-nonylsulfanylhexyl)-1,3-thiazolidine;hydrochloride is sourced from PubChem (CID 3038880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).