2-ethyl-2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine

C11H21NS3 — CID 3074282

IUPAC2-ethyl-2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine
SMILESCCC1(CCC2(C)SCCS2)NCCS1
InChIInChI=1S/C11H21NS3/c1-3-11(12-6-7-15-11)5-4-10(2)13-8-9-14-10/h12H,3-9H2,1-2H3
InChIKeyLBLJGZRZPNEIGS-UHFFFAOYSA-N
MW263.50 g/mol
LogP3.41
Rot. Bonds4

About 2-ethyl-2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine

2-ethyl-2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine (PubChem CID 3074282) has the molecular formula C11H21NS3 and a molecular weight of 263.50 g/mol. Its IUPAC name is 2-ethyl-2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine.

Molecular Properties

Compound Name2-ethyl-2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine
PubChem CID3074282
Molecular FormulaC11H21NS3
Molecular Weight263.50 g/mol
Exact Mass263.08
IUPAC Name2-ethyl-2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine
SMILESCCC1(CCC2(C)SCCS2)NCCS1
InChIInChI=1S/C11H21NS3/c1-3-11(12-6-7-15-11)5-4-10(2)13-8-9-14-10/h12H,3-9H2,1-2H3
InChIKeyLBLJGZRZPNEIGS-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.50
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine?
The IUPAC name of 2-ethyl-2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine (CID 3074282) is 2-ethyl-2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine.
What is the SMILES notation for 2-ethyl-2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine?
The canonical SMILES for 2-ethyl-2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine is CCC1(CCC2(C)SCCS2)NCCS1.
What is the InChIKey of 2-ethyl-2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine?
The InChIKey is LBLJGZRZPNEIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS3/c1-3-11(12-6-7-15-11)5-4-10(2)13-8-9-14-10/h12H,3-9H2,1-2H3.
What are the key properties of 2-ethyl-2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine?
2-ethyl-2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine has a molecular weight of 263.50 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine is sourced from PubChem (CID 3074282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).