2,3,4-trimethyl-1,4-thiazinane 1,1-dioxide

C7H15NO2S — CID 58520634

IUPAC2,3,4-trimethyl-1,4-thiazinane 1,1-dioxide
SMILESCC1C(C)S(=O)(=O)CCN1C
InChIInChI=1S/C7H15NO2S/c1-6-7(2)11(9,10)5-4-8(6)3/h6-7H,4-5H2,1-3H3
InChIKeyWIBQNIXBVOXWOY-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.12
Rot. Bonds

About 2,3,4-trimethyl-1,4-thiazinane 1,1-dioxide

2,3,4-trimethyl-1,4-thiazinane 1,1-dioxide (PubChem CID 58520634) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 2,3,4-trimethyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2,3,4-trimethyl-1,4-thiazinane 1,1-dioxide
PubChem CID58520634
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name2,3,4-trimethyl-1,4-thiazinane 1,1-dioxide
SMILESCC1C(C)S(=O)(=O)CCN1C
InChIInChI=1S/C7H15NO2S/c1-6-7(2)11(9,10)5-4-8(6)3/h6-7H,4-5H2,1-3H3
InChIKeyWIBQNIXBVOXWOY-UHFFFAOYSA-N
XLogP0.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,3,4-trimethyl-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 2,3,4-trimethyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 2,3,4-trimethyl-1,4-thiazinane 1,1-dioxide (CID 58520634) is 2,3,4-trimethyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 2,3,4-trimethyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 2,3,4-trimethyl-1,4-thiazinane 1,1-dioxide is CC1C(C)S(=O)(=O)CCN1C.
What is the InChIKey of 2,3,4-trimethyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is WIBQNIXBVOXWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-6-7(2)11(9,10)5-4-8(6)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 2,3,4-trimethyl-1,4-thiazinane 1,1-dioxide?
2,3,4-trimethyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 177.27 g/mol, XLogP of 0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 58520634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).