2,4,6-triethyl-1,3,5-dithiazinane

C9H19NS2 — CID 547350

IUPAC2,4,6-triethyl-1,3,5-dithiazinane
SMILESCCC1NC(CC)SC(CC)S1
InChIInChI=1S/C9H19NS2/c1-4-7-10-8(5-2)12-9(6-3)11-7/h7-10H,4-6H2,1-3H3
InChIKeyAANIECMHWBXFCP-UHFFFAOYSA-N
MW205.39 g/mol
LogP3.26
Rot. Bonds3

About 2,4,6-triethyl-1,3,5-dithiazinane

2,4,6-triethyl-1,3,5-dithiazinane (PubChem CID 547350) has the molecular formula C9H19NS2 and a molecular weight of 205.39 g/mol. Its IUPAC name is 2,4,6-triethyl-1,3,5-dithiazinane.

Molecular Properties

Compound Name2,4,6-triethyl-1,3,5-dithiazinane
PubChem CID547350
Molecular FormulaC9H19NS2
Molecular Weight205.39 g/mol
Exact Mass205.10
IUPAC Name2,4,6-triethyl-1,3,5-dithiazinane
SMILESCCC1NC(CC)SC(CC)S1
InChIInChI=1S/C9H19NS2/c1-4-7-10-8(5-2)12-9(6-3)11-7/h7-10H,4-6H2,1-3H3
InChIKeyAANIECMHWBXFCP-UHFFFAOYSA-N
XLogP3.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4,6-triethyl-1,3,5-dithiazinane with MolForge

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

Launch Full Analysis

Related Compounds

2,4,6-Trimethyldihydro-1,3,5-dithiazine
CID 12518
2,4,6-Triisobutyl-5,6-dihydro-4H-1,3,5-dithiazine
CID 46941523
2-Isobutyl-4,6-dimethyl-1,3,5-dithiazinane
CID 529056
Thialdine
CID 13072565
2-Ethyl-4,6-dimethyldihydro-1,3,5-dithiazine
CID 529054
2-Isopropyl-4,6-dimethyldihydro-1,3,5-dithiazine
CID 529055
Dihydro-2,4-dimethyl-6-(1-methylethyl)-4H-1,3,5-dithiazine
CID 529052
4-Isobutyl-2,6-dimethyl-1,3,5-dithiazinane
CID 71587382
2-Methylthiomorpholine
CID 14953857
2-Propyl-1,3-thiazinane
CID 200393
2,6-Dimethylthiomorpholine
CID 103815
2-Ethylthiomorpholine
CID 21495166

Frequently Asked Questions

What is the IUPAC name of 2,4,6-triethyl-1,3,5-dithiazinane?
The IUPAC name of 2,4,6-triethyl-1,3,5-dithiazinane (CID 547350) is 2,4,6-triethyl-1,3,5-dithiazinane.
What is the SMILES notation for 2,4,6-triethyl-1,3,5-dithiazinane?
The canonical SMILES for 2,4,6-triethyl-1,3,5-dithiazinane is CCC1NC(CC)SC(CC)S1.
What is the InChIKey of 2,4,6-triethyl-1,3,5-dithiazinane?
The InChIKey is AANIECMHWBXFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS2/c1-4-7-10-8(5-2)12-9(6-3)11-7/h7-10H,4-6H2,1-3H3.
What are the key properties of 2,4,6-triethyl-1,3,5-dithiazinane?
2,4,6-triethyl-1,3,5-dithiazinane has a molecular weight of 205.39 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triethyl-1,3,5-dithiazinane is sourced from PubChem (CID 547350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).