4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide

C6H11NO2S — CID 59520041

IUPAC4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide
SMILESC=C1CS(=O)(=O)CCN1C
InChIInChI=1S/C6H11NO2S/c1-6-5-10(8,9)4-3-7(6)2/h1,3-5H2,2H3
InChIKeyXMQDYIGZMJNNGI-UHFFFAOYSA-N
MW161.23 g/mol
LogP-0.14
Rot. Bonds

About 4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide

4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide (PubChem CID 59520041) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is 4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide
PubChem CID59520041
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide
SMILESC=C1CS(=O)(=O)CCN1C
InChIInChI=1S/C6H11NO2S/c1-6-5-10(8,9)4-3-7(6)2/h1,3-5H2,2H3
InChIKeyXMQDYIGZMJNNGI-UHFFFAOYSA-N
XLogP-0.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide 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 4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide (CID 59520041) is 4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide is C=C1CS(=O)(=O)CCN1C.
What is the InChIKey of 4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide?
The InChIKey is XMQDYIGZMJNNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-6-5-10(8,9)4-3-7(6)2/h1,3-5H2,2H3.
What are the key properties of 4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide?
4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide has a molecular weight of 161.23 g/mol, XLogP of -0.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 59520041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).