(5S)-5-ethyl-2,5-dimethyl-1,2,6-thiadiazinane 1,1-dioxide

C7H16N2O2S — CID 138857821

IUPAC(5S)-5-ethyl-2,5-dimethyl-1,2,6-thiadiazinane 1,1-dioxide
SMILESCC[C@@]1(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/t7-/m0/s1
InChIKeyBDUGUPQFFKFURA-ZETCQYMHSA-N
MW192.28 g/mol
LogP0.32
Rot. Bonds1

About (5S)-5-ethyl-2,5-dimethyl-1,2,6-thiadiazinane 1,1-dioxide

(5S)-5-ethyl-2,5-dimethyl-1,2,6-thiadiazinane 1,1-dioxide (PubChem CID 138857821) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is (5S)-5-ethyl-2,5-dimethyl-1,2,6-thiadiazinane 1,1-dioxide.

Molecular Properties

Compound Name(5S)-5-ethyl-2,5-dimethyl-1,2,6-thiadiazinane 1,1-dioxide
PubChem CID138857821
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name(5S)-5-ethyl-2,5-dimethyl-1,2,6-thiadiazinane 1,1-dioxide
SMILESCC[C@@]1(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/t7-/m0/s1
InChIKeyBDUGUPQFFKFURA-ZETCQYMHSA-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 (5S)-5-ethyl-2,5-dimethyl-1,2,6-thiadiazinane 1,1-dioxide?
The IUPAC name of (5S)-5-ethyl-2,5-dimethyl-1,2,6-thiadiazinane 1,1-dioxide (CID 138857821) is (5S)-5-ethyl-2,5-dimethyl-1,2,6-thiadiazinane 1,1-dioxide.
What is the SMILES notation for (5S)-5-ethyl-2,5-dimethyl-1,2,6-thiadiazinane 1,1-dioxide?
The canonical SMILES for (5S)-5-ethyl-2,5-dimethyl-1,2,6-thiadiazinane 1,1-dioxide is CC[C@@]1(C)CCN(C)S(=O)(=O)N1.
What is the InChIKey of (5S)-5-ethyl-2,5-dimethyl-1,2,6-thiadiazinane 1,1-dioxide?
The InChIKey is BDUGUPQFFKFURA-ZETCQYMHSA-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/t7-/m0/s1.
What are the key properties of (5S)-5-ethyl-2,5-dimethyl-1,2,6-thiadiazinane 1,1-dioxide?
(5S)-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 (5S)-5-ethyl-2,5-dimethyl-1,2,6-thiadiazinane 1,1-dioxide is sourced from PubChem (CID 138857821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).