(2R,4R)-2,4,6-triethyl-4H-1,3,5-dithiazine

C9H17NS2 — CID 124705673

IUPAC(2R,4R)-2,4,6-triethyl-4H-1,3,5-dithiazine
SMILESCCC1=N[C@@H](CC)S[C@@H](CC)S1
InChIInChI=1S/C9H17NS2/c1-4-7-10-8(5-2)12-9(6-3)11-7/h7,9H,4-6H2,1-3H3/t7-,9-/m1/s1
InChIKeyOTBAROKLHZCHGJ-VXNVDRBHSA-N
MW203.38 g/mol
LogP3.75
Rot. Bonds3

About (2R,4R)-2,4,6-triethyl-4H-1,3,5-dithiazine

(2R,4R)-2,4,6-triethyl-4H-1,3,5-dithiazine (PubChem CID 124705673) has the molecular formula C9H17NS2 and a molecular weight of 203.38 g/mol. Its IUPAC name is (2R,4R)-2,4,6-triethyl-4H-1,3,5-dithiazine.

Molecular Properties

Compound Name(2R,4R)-2,4,6-triethyl-4H-1,3,5-dithiazine
PubChem CID124705673
Molecular FormulaC9H17NS2
Molecular Weight203.38 g/mol
Exact Mass203.08
IUPAC Name(2R,4R)-2,4,6-triethyl-4H-1,3,5-dithiazine
SMILESCCC1=N[C@@H](CC)S[C@@H](CC)S1
InChIInChI=1S/C9H17NS2/c1-4-7-10-8(5-2)12-9(6-3)11-7/h7,9H,4-6H2,1-3H3/t7-,9-/m1/s1
InChIKeyOTBAROKLHZCHGJ-VXNVDRBHSA-N
XLogP3.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.38
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R,4R)-2,4,6-triethyl-4H-1,3,5-dithiazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2,4,6-triethyl-4H-1,3,5-dithiazine?
The IUPAC name of (2R,4R)-2,4,6-triethyl-4H-1,3,5-dithiazine (CID 124705673) is (2R,4R)-2,4,6-triethyl-4H-1,3,5-dithiazine.
What is the SMILES notation for (2R,4R)-2,4,6-triethyl-4H-1,3,5-dithiazine?
The canonical SMILES for (2R,4R)-2,4,6-triethyl-4H-1,3,5-dithiazine is CCC1=N[C@@H](CC)S[C@@H](CC)S1.
What is the InChIKey of (2R,4R)-2,4,6-triethyl-4H-1,3,5-dithiazine?
The InChIKey is OTBAROKLHZCHGJ-VXNVDRBHSA-N. The full InChI is InChI=1S/C9H17NS2/c1-4-7-10-8(5-2)12-9(6-3)11-7/h7,9H,4-6H2,1-3H3/t7-,9-/m1/s1.
What are the key properties of (2R,4R)-2,4,6-triethyl-4H-1,3,5-dithiazine?
(2R,4R)-2,4,6-triethyl-4H-1,3,5-dithiazine has a molecular weight of 203.38 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2,4,6-triethyl-4H-1,3,5-dithiazine is sourced from PubChem (CID 124705673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).