1-(1-oxo-1,4-thiazinan-4-yl)ethanone

C6H11NO2S — CID 12600304

IUPAC1-(1-oxo-1,4-thiazinan-4-yl)ethanone
SMILESCC(=O)N1CCS(=O)CC1
InChIInChI=1S/C6H11NO2S/c1-6(8)7-2-4-10(9)5-3-7/h2-5H2,1H3
InChIKeyPCYGKDZHAISJSZ-UHFFFAOYSA-N
MW161.23 g/mol
LogP-0.40
Rot. Bonds

About 1-(1-oxo-1,4-thiazinan-4-yl)ethanone

1-(1-oxo-1,4-thiazinan-4-yl)ethanone (PubChem CID 12600304) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is 1-(1-oxo-1,4-thiazinan-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-oxo-1,4-thiazinan-4-yl)ethanone
PubChem CID12600304
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name1-(1-oxo-1,4-thiazinan-4-yl)ethanone
SMILESCC(=O)N1CCS(=O)CC1
InChIInChI=1S/C6H11NO2S/c1-6(8)7-2-4-10(9)5-3-7/h2-5H2,1H3
InChIKeyPCYGKDZHAISJSZ-UHFFFAOYSA-N
XLogP-0.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1-oxo-1,4-thiazinan-4-yl)ethanone 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 1-(1-oxo-1,4-thiazinan-4-yl)ethanone?
The IUPAC name of 1-(1-oxo-1,4-thiazinan-4-yl)ethanone (CID 12600304) is 1-(1-oxo-1,4-thiazinan-4-yl)ethanone.
What is the SMILES notation for 1-(1-oxo-1,4-thiazinan-4-yl)ethanone?
The canonical SMILES for 1-(1-oxo-1,4-thiazinan-4-yl)ethanone is CC(=O)N1CCS(=O)CC1.
What is the InChIKey of 1-(1-oxo-1,4-thiazinan-4-yl)ethanone?
The InChIKey is PCYGKDZHAISJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-6(8)7-2-4-10(9)5-3-7/h2-5H2,1H3.
What are the key properties of 1-(1-oxo-1,4-thiazinan-4-yl)ethanone?
1-(1-oxo-1,4-thiazinan-4-yl)ethanone has a molecular weight of 161.23 g/mol, XLogP of -0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxo-1,4-thiazinan-4-yl)ethanone is sourced from PubChem (CID 12600304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).