3-ethyl-2-methyl-1,4-thiazinane 1,1-dioxide

C7H15NO2S — CID 12638753

IUPAC3-ethyl-2-methyl-1,4-thiazinane 1,1-dioxide
SMILESCCC1NCCS(=O)(=O)C1C
InChIInChI=1S/C7H15NO2S/c1-3-7-6(2)11(9,10)5-4-8-7/h6-8H,3-5H2,1-2H3
InChIKeyNBMFUDHAAWJKIJ-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.17
Rot. Bonds1

About 3-ethyl-2-methyl-1,4-thiazinane 1,1-dioxide

3-ethyl-2-methyl-1,4-thiazinane 1,1-dioxide (PubChem CID 12638753) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 3-ethyl-2-methyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-ethyl-2-methyl-1,4-thiazinane 1,1-dioxide
PubChem CID12638753
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name3-ethyl-2-methyl-1,4-thiazinane 1,1-dioxide
SMILESCCC1NCCS(=O)(=O)C1C
InChIInChI=1S/C7H15NO2S/c1-3-7-6(2)11(9,10)5-4-8-7/h6-8H,3-5H2,1-2H3
InChIKeyNBMFUDHAAWJKIJ-UHFFFAOYSA-N
XLogP0.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-ethyl-2-methyl-1,4-thiazinane 1,1-dioxide (CID 12638753) is 3-ethyl-2-methyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-ethyl-2-methyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-ethyl-2-methyl-1,4-thiazinane 1,1-dioxide is CCC1NCCS(=O)(=O)C1C.
What is the InChIKey of 3-ethyl-2-methyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is NBMFUDHAAWJKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-3-7-6(2)11(9,10)5-4-8-7/h6-8H,3-5H2,1-2H3.
What are the key properties of 3-ethyl-2-methyl-1,4-thiazinane 1,1-dioxide?
3-ethyl-2-methyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 177.27 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 12638753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).