5,5-dimethyl-2-(3-methylbutyl)-1,2,6-thiadiazinane 1,1-dioxide

C10H22N2O2S — CID 135058466

IUPAC5,5-dimethyl-2-(3-methylbutyl)-1,2,6-thiadiazinane 1,1-dioxide
SMILESCC(C)CCN1CCC(C)(C)NS1(=O)=O
InChIInChI=1S/C10H22N2O2S/c1-9(2)5-7-12-8-6-10(3,4)11-15(12,13)14/h9,11H,5-8H2,1-4H3
InChIKeyGYVGLHSGZAYYHK-UHFFFAOYSA-N
MW234.36 g/mol
LogP1.35
Rot. Bonds3

About 5,5-dimethyl-2-(3-methylbutyl)-1,2,6-thiadiazinane 1,1-dioxide

5,5-dimethyl-2-(3-methylbutyl)-1,2,6-thiadiazinane 1,1-dioxide (PubChem CID 135058466) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 5,5-dimethyl-2-(3-methylbutyl)-1,2,6-thiadiazinane 1,1-dioxide.

Molecular Properties

Compound Name5,5-dimethyl-2-(3-methylbutyl)-1,2,6-thiadiazinane 1,1-dioxide
PubChem CID135058466
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name5,5-dimethyl-2-(3-methylbutyl)-1,2,6-thiadiazinane 1,1-dioxide
SMILESCC(C)CCN1CCC(C)(C)NS1(=O)=O
InChIInChI=1S/C10H22N2O2S/c1-9(2)5-7-12-8-6-10(3,4)11-15(12,13)14/h9,11H,5-8H2,1-4H3
InChIKeyGYVGLHSGZAYYHK-UHFFFAOYSA-N
XLogP1.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(3-methylbutyl)-1,2,6-thiadiazinane 1,1-dioxide?
The IUPAC name of 5,5-dimethyl-2-(3-methylbutyl)-1,2,6-thiadiazinane 1,1-dioxide (CID 135058466) is 5,5-dimethyl-2-(3-methylbutyl)-1,2,6-thiadiazinane 1,1-dioxide.
What is the SMILES notation for 5,5-dimethyl-2-(3-methylbutyl)-1,2,6-thiadiazinane 1,1-dioxide?
The canonical SMILES for 5,5-dimethyl-2-(3-methylbutyl)-1,2,6-thiadiazinane 1,1-dioxide is CC(C)CCN1CCC(C)(C)NS1(=O)=O.
What is the InChIKey of 5,5-dimethyl-2-(3-methylbutyl)-1,2,6-thiadiazinane 1,1-dioxide?
The InChIKey is GYVGLHSGZAYYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-9(2)5-7-12-8-6-10(3,4)11-15(12,13)14/h9,11H,5-8H2,1-4H3.
What are the key properties of 5,5-dimethyl-2-(3-methylbutyl)-1,2,6-thiadiazinane 1,1-dioxide?
5,5-dimethyl-2-(3-methylbutyl)-1,2,6-thiadiazinane 1,1-dioxide has a molecular weight of 234.36 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(3-methylbutyl)-1,2,6-thiadiazinane 1,1-dioxide is sourced from PubChem (CID 135058466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).