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

C11H21NS3 — CID 3074283

IUPAC2-[2-(2-ethyl-1,3-dithiolan-2-yl)ethyl]-2-methyl-1,3-thiazolidine
SMILESCCC1(CCC2(C)NCCS2)SCCS1
InChIInChI=1S/C11H21NS3/c1-3-11(14-8-9-15-11)5-4-10(2)12-6-7-13-10/h12H,3-9H2,1-2H3
InChIKeyFCEVCZKNYOITFI-UHFFFAOYSA-N
MW263.50 g/mol
LogP3.41
Rot. Bonds4

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

2-[2-(2-ethyl-1,3-dithiolan-2-yl)ethyl]-2-methyl-1,3-thiazolidine (PubChem CID 3074283) has the molecular formula C11H21NS3 and a molecular weight of 263.50 g/mol. Its IUPAC name is 2-[2-(2-ethyl-1,3-dithiolan-2-yl)ethyl]-2-methyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-[2-(2-ethyl-1,3-dithiolan-2-yl)ethyl]-2-methyl-1,3-thiazolidine
PubChem CID3074283
Molecular FormulaC11H21NS3
Molecular Weight263.50 g/mol
Exact Mass263.08
IUPAC Name2-[2-(2-ethyl-1,3-dithiolan-2-yl)ethyl]-2-methyl-1,3-thiazolidine
SMILESCCC1(CCC2(C)NCCS2)SCCS1
InChIInChI=1S/C11H21NS3/c1-3-11(14-8-9-15-11)5-4-10(2)12-6-7-13-10/h12H,3-9H2,1-2H3
InChIKeyFCEVCZKNYOITFI-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-[2-(2-ethyl-1,3-dithiolan-2-yl)ethyl]-2-methyl-1,3-thiazolidine?
The IUPAC name of 2-[2-(2-ethyl-1,3-dithiolan-2-yl)ethyl]-2-methyl-1,3-thiazolidine (CID 3074283) is 2-[2-(2-ethyl-1,3-dithiolan-2-yl)ethyl]-2-methyl-1,3-thiazolidine.
What is the SMILES notation for 2-[2-(2-ethyl-1,3-dithiolan-2-yl)ethyl]-2-methyl-1,3-thiazolidine?
The canonical SMILES for 2-[2-(2-ethyl-1,3-dithiolan-2-yl)ethyl]-2-methyl-1,3-thiazolidine is CCC1(CCC2(C)NCCS2)SCCS1.
What is the InChIKey of 2-[2-(2-ethyl-1,3-dithiolan-2-yl)ethyl]-2-methyl-1,3-thiazolidine?
The InChIKey is FCEVCZKNYOITFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS3/c1-3-11(14-8-9-15-11)5-4-10(2)12-6-7-13-10/h12H,3-9H2,1-2H3.
What are the key properties of 2-[2-(2-ethyl-1,3-dithiolan-2-yl)ethyl]-2-methyl-1,3-thiazolidine?
2-[2-(2-ethyl-1,3-dithiolan-2-yl)ethyl]-2-methyl-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-[2-(2-ethyl-1,3-dithiolan-2-yl)ethyl]-2-methyl-1,3-thiazolidine is sourced from PubChem (CID 3074283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).