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

C10H19NS3 — CID 3074281

IUPAC2-methyl-2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine
SMILESCC1(CCC2(C)SCCS2)NCCS1
InChIInChI=1S/C10H19NS3/c1-9(11-5-6-12-9)3-4-10(2)13-7-8-14-10/h11H,3-8H2,1-2H3
InChIKeyXGTZGWJPFLTBRZ-UHFFFAOYSA-N
MW249.47 g/mol
LogP3.02
Rot. Bonds3

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

2-methyl-2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine (PubChem CID 3074281) has the molecular formula C10H19NS3 and a molecular weight of 249.47 g/mol. Its IUPAC name is 2-methyl-2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine.

Molecular Properties

Compound Name2-methyl-2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine
PubChem CID3074281
Molecular FormulaC10H19NS3
Molecular Weight249.47 g/mol
Exact Mass249.07
IUPAC Name2-methyl-2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine
SMILESCC1(CCC2(C)SCCS2)NCCS1
InChIInChI=1S/C10H19NS3/c1-9(11-5-6-12-9)3-4-10(2)13-7-8-14-10/h11H,3-8H2,1-2H3
InChIKeyXGTZGWJPFLTBRZ-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine?
The IUPAC name of 2-methyl-2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine (CID 3074281) is 2-methyl-2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine.
What is the SMILES notation for 2-methyl-2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine?
The canonical SMILES for 2-methyl-2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine is CC1(CCC2(C)SCCS2)NCCS1.
What is the InChIKey of 2-methyl-2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine?
The InChIKey is XGTZGWJPFLTBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS3/c1-9(11-5-6-12-9)3-4-10(2)13-7-8-14-10/h11H,3-8H2,1-2H3.
What are the key properties of 2-methyl-2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine?
2-methyl-2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine has a molecular weight of 249.47 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine is sourced from PubChem (CID 3074281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).