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

C12H23NS3 — CID 3074284

IUPAC2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-2-propyl-1,3-thiazolidine
SMILESCCCC1(CCC2(C)SCCS2)NCCS1
InChIInChI=1S/C12H23NS3/c1-3-4-12(13-7-8-16-12)6-5-11(2)14-9-10-15-11/h13H,3-10H2,1-2H3
InChIKeyMVVJPAYOSFUSKF-UHFFFAOYSA-N
MW277.52 g/mol
LogP3.80
Rot. Bonds5

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

2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-2-propyl-1,3-thiazolidine (PubChem CID 3074284) has the molecular formula C12H23NS3 and a molecular weight of 277.52 g/mol. Its IUPAC name is 2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-2-propyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-2-propyl-1,3-thiazolidine
PubChem CID3074284
Molecular FormulaC12H23NS3
Molecular Weight277.52 g/mol
Exact Mass277.10
IUPAC Name2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-2-propyl-1,3-thiazolidine
SMILESCCCC1(CCC2(C)SCCS2)NCCS1
InChIInChI=1S/C12H23NS3/c1-3-4-12(13-7-8-16-12)6-5-11(2)14-9-10-15-11/h13H,3-10H2,1-2H3
InChIKeyMVVJPAYOSFUSKF-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.52
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-2-propyl-1,3-thiazolidine?
The IUPAC name of 2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-2-propyl-1,3-thiazolidine (CID 3074284) is 2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-2-propyl-1,3-thiazolidine.
What is the SMILES notation for 2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-2-propyl-1,3-thiazolidine?
The canonical SMILES for 2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-2-propyl-1,3-thiazolidine is CCCC1(CCC2(C)SCCS2)NCCS1.
What is the InChIKey of 2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-2-propyl-1,3-thiazolidine?
The InChIKey is MVVJPAYOSFUSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS3/c1-3-4-12(13-7-8-16-12)6-5-11(2)14-9-10-15-11/h13H,3-10H2,1-2H3.
What are the key properties of 2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-2-propyl-1,3-thiazolidine?
2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-2-propyl-1,3-thiazolidine has a molecular weight of 277.52 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-2-propyl-1,3-thiazolidine is sourced from PubChem (CID 3074284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).