5-ethyl-2,5-dimethyl-1,2,6-thiadiazinane 1,1-dioxide

C7H16N2O2S — CID 68643208

IUPAC5-ethyl-2,5-dimethyl-1,2,6-thiadiazinane 1,1-dioxide
SMILESCCC1(C)CCN(C)S(=O)(=O)N1
InChIInChI=1S/C7H16N2O2S/c1-4-7(2)5-6-9(3)12(10,11)8-7/h8H,4-6H2,1-3H3
InChIKeyBDUGUPQFFKFURA-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.32
Rot. Bonds1

About 5-ethyl-2,5-dimethyl-1,2,6-thiadiazinane 1,1-dioxide

5-ethyl-2,5-dimethyl-1,2,6-thiadiazinane 1,1-dioxide (PubChem CID 68643208) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 5-ethyl-2,5-dimethyl-1,2,6-thiadiazinane 1,1-dioxide.

Molecular Properties

Compound Name5-ethyl-2,5-dimethyl-1,2,6-thiadiazinane 1,1-dioxide
PubChem CID68643208
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name5-ethyl-2,5-dimethyl-1,2,6-thiadiazinane 1,1-dioxide
SMILESCCC1(C)CCN(C)S(=O)(=O)N1
InChIInChI=1S/C7H16N2O2S/c1-4-7(2)5-6-9(3)12(10,11)8-7/h8H,4-6H2,1-3H3
InChIKeyBDUGUPQFFKFURA-UHFFFAOYSA-N
XLogP0.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,5-dimethyl-1,2,6-thiadiazinane 1,1-dioxide?
The IUPAC name of 5-ethyl-2,5-dimethyl-1,2,6-thiadiazinane 1,1-dioxide (CID 68643208) is 5-ethyl-2,5-dimethyl-1,2,6-thiadiazinane 1,1-dioxide.
What is the SMILES notation for 5-ethyl-2,5-dimethyl-1,2,6-thiadiazinane 1,1-dioxide?
The canonical SMILES for 5-ethyl-2,5-dimethyl-1,2,6-thiadiazinane 1,1-dioxide is CCC1(C)CCN(C)S(=O)(=O)N1.
What is the InChIKey of 5-ethyl-2,5-dimethyl-1,2,6-thiadiazinane 1,1-dioxide?
The InChIKey is BDUGUPQFFKFURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-4-7(2)5-6-9(3)12(10,11)8-7/h8H,4-6H2,1-3H3.
What are the key properties of 5-ethyl-2,5-dimethyl-1,2,6-thiadiazinane 1,1-dioxide?
5-ethyl-2,5-dimethyl-1,2,6-thiadiazinane 1,1-dioxide has a molecular weight of 192.28 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,5-dimethyl-1,2,6-thiadiazinane 1,1-dioxide is sourced from PubChem (CID 68643208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).