2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanethioamide

C6H12N2O2S2 — CID 43581489

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanethioamide
SMILESNC(=S)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C6H12N2O2S2/c7-6(11)5-8-1-3-12(9,10)4-2-8/h1-5H2,(H2,7,11)
InChIKeyIHHMEXANZXTOQI-UHFFFAOYSA-N
MW208.31 g/mol
LogP-1.00
Rot. Bonds2

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanethioamide

2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanethioamide (PubChem CID 43581489) has the molecular formula C6H12N2O2S2 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanethioamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanethioamide
PubChem CID43581489
Molecular FormulaC6H12N2O2S2
Molecular Weight208.31 g/mol
Exact Mass208.03
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanethioamide
SMILESNC(=S)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C6H12N2O2S2/c7-6(11)5-8-1-3-12(9,10)4-2-8/h1-5H2,(H2,7,11)
InChIKeyIHHMEXANZXTOQI-UHFFFAOYSA-N
XLogP-1.00
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanethioamide 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 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanethioamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanethioamide (CID 43581489) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanethioamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanethioamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanethioamide is NC(=S)CN1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanethioamide?
The InChIKey is IHHMEXANZXTOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2S2/c7-6(11)5-8-1-3-12(9,10)4-2-8/h1-5H2,(H2,7,11).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanethioamide?
2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanethioamide has a molecular weight of 208.31 g/mol, XLogP of -1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanethioamide is sourced from PubChem (CID 43581489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).