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

C13H25NS3 — CID 3074288

IUPAC2-[2-(2-butyl-1,3-dithiolan-2-yl)ethyl]-2-methyl-1,3-thiazolidine
SMILESCCCCC1(CCC2(C)NCCS2)SCCS1
InChIInChI=1S/C13H25NS3/c1-3-4-5-13(16-10-11-17-13)7-6-12(2)14-8-9-15-12/h14H,3-11H2,1-2H3
InChIKeyATJGTAKVUNKEKY-UHFFFAOYSA-N
MW291.55 g/mol
LogP4.19
Rot. Bonds6

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

2-[2-(2-butyl-1,3-dithiolan-2-yl)ethyl]-2-methyl-1,3-thiazolidine (PubChem CID 3074288) has the molecular formula C13H25NS3 and a molecular weight of 291.55 g/mol. Its IUPAC name is 2-[2-(2-butyl-1,3-dithiolan-2-yl)ethyl]-2-methyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-[2-(2-butyl-1,3-dithiolan-2-yl)ethyl]-2-methyl-1,3-thiazolidine
PubChem CID3074288
Molecular FormulaC13H25NS3
Molecular Weight291.55 g/mol
Exact Mass291.11
IUPAC Name2-[2-(2-butyl-1,3-dithiolan-2-yl)ethyl]-2-methyl-1,3-thiazolidine
SMILESCCCCC1(CCC2(C)NCCS2)SCCS1
InChIInChI=1S/C13H25NS3/c1-3-4-5-13(16-10-11-17-13)7-6-12(2)14-8-9-15-12/h14H,3-11H2,1-2H3
InChIKeyATJGTAKVUNKEKY-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.55
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-butyl-1,3-dithiolan-2-yl)ethyl]-2-methyl-1,3-thiazolidine?
The IUPAC name of 2-[2-(2-butyl-1,3-dithiolan-2-yl)ethyl]-2-methyl-1,3-thiazolidine (CID 3074288) is 2-[2-(2-butyl-1,3-dithiolan-2-yl)ethyl]-2-methyl-1,3-thiazolidine.
What is the SMILES notation for 2-[2-(2-butyl-1,3-dithiolan-2-yl)ethyl]-2-methyl-1,3-thiazolidine?
The canonical SMILES for 2-[2-(2-butyl-1,3-dithiolan-2-yl)ethyl]-2-methyl-1,3-thiazolidine is CCCCC1(CCC2(C)NCCS2)SCCS1.
What is the InChIKey of 2-[2-(2-butyl-1,3-dithiolan-2-yl)ethyl]-2-methyl-1,3-thiazolidine?
The InChIKey is ATJGTAKVUNKEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NS3/c1-3-4-5-13(16-10-11-17-13)7-6-12(2)14-8-9-15-12/h14H,3-11H2,1-2H3.
What are the key properties of 2-[2-(2-butyl-1,3-dithiolan-2-yl)ethyl]-2-methyl-1,3-thiazolidine?
2-[2-(2-butyl-1,3-dithiolan-2-yl)ethyl]-2-methyl-1,3-thiazolidine has a molecular weight of 291.55 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-butyl-1,3-dithiolan-2-yl)ethyl]-2-methyl-1,3-thiazolidine is sourced from PubChem (CID 3074288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).