4-methyl-1,4-thiazinan-4-ium 1,1-dioxide

C5H12NO2S+ — CID 6932346

IUPAC4-methyl-1,4-thiazinan-4-ium 1,1-dioxide
SMILESC[NH+]1CCS(=O)(=O)CC1
InChIInChI=1S/C5H11NO2S/c1-6-2-4-9(7,8)5-3-6/h2-5H2,1H3/p+1
InChIKeyULZCOWMSBOJCLT-UHFFFAOYSA-O
MW150.22 g/mol
LogP-2.07
Rot. Bonds

About 4-methyl-1,4-thiazinan-4-ium 1,1-dioxide

4-methyl-1,4-thiazinan-4-ium 1,1-dioxide (PubChem CID 6932346) has the molecular formula C5H12NO2S+ and a molecular weight of 150.22 g/mol. Its IUPAC name is 4-methyl-1,4-thiazinan-4-ium 1,1-dioxide.

Molecular Properties

Compound Name4-methyl-1,4-thiazinan-4-ium 1,1-dioxide
PubChem CID6932346
Molecular FormulaC5H12NO2S+
Molecular Weight150.22 g/mol
Exact Mass150.06
IUPAC Name4-methyl-1,4-thiazinan-4-ium 1,1-dioxide
SMILESC[NH+]1CCS(=O)(=O)CC1
InChIInChI=1S/C5H11NO2S/c1-6-2-4-9(7,8)5-3-6/h2-5H2,1H3/p+1
InChIKeyULZCOWMSBOJCLT-UHFFFAOYSA-O
XLogP-2.07
TPSA38.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 5-2.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-1,4-thiazinan-4-ium 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-1,4-thiazinan-4-ium 1,1-dioxide?
The IUPAC name of 4-methyl-1,4-thiazinan-4-ium 1,1-dioxide (CID 6932346) is 4-methyl-1,4-thiazinan-4-ium 1,1-dioxide.
What is the SMILES notation for 4-methyl-1,4-thiazinan-4-ium 1,1-dioxide?
The canonical SMILES for 4-methyl-1,4-thiazinan-4-ium 1,1-dioxide is C[NH+]1CCS(=O)(=O)CC1.
What is the InChIKey of 4-methyl-1,4-thiazinan-4-ium 1,1-dioxide?
The InChIKey is ULZCOWMSBOJCLT-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H11NO2S/c1-6-2-4-9(7,8)5-3-6/h2-5H2,1H3/p+1.
What are the key properties of 4-methyl-1,4-thiazinan-4-ium 1,1-dioxide?
4-methyl-1,4-thiazinan-4-ium 1,1-dioxide has a molecular weight of 150.22 g/mol, XLogP of -2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,4-thiazinan-4-ium 1,1-dioxide is sourced from PubChem (CID 6932346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).