4-ethyl-2-methyl-3-(3-methylbutyl)-1,2,6-thiadiazinane 1,1-dioxide

C11H24N2O2S — CID 118241953

IUPAC4-ethyl-2-methyl-3-(3-methylbutyl)-1,2,6-thiadiazinane 1,1-dioxide
SMILESCCC1CNS(=O)(=O)N(C)C1CCC(C)C
InChIInChI=1S/C11H24N2O2S/c1-5-10-8-12-16(14,15)13(4)11(10)7-6-9(2)3/h9-12H,5-8H2,1-4H3
InChIKeyWPKMVDQAPCSKDF-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.60
Rot. Bonds4

About 4-ethyl-2-methyl-3-(3-methylbutyl)-1,2,6-thiadiazinane 1,1-dioxide

4-ethyl-2-methyl-3-(3-methylbutyl)-1,2,6-thiadiazinane 1,1-dioxide (PubChem CID 118241953) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 4-ethyl-2-methyl-3-(3-methylbutyl)-1,2,6-thiadiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-ethyl-2-methyl-3-(3-methylbutyl)-1,2,6-thiadiazinane 1,1-dioxide
PubChem CID118241953
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name4-ethyl-2-methyl-3-(3-methylbutyl)-1,2,6-thiadiazinane 1,1-dioxide
SMILESCCC1CNS(=O)(=O)N(C)C1CCC(C)C
InChIInChI=1S/C11H24N2O2S/c1-5-10-8-12-16(14,15)13(4)11(10)7-6-9(2)3/h9-12H,5-8H2,1-4H3
InChIKeyWPKMVDQAPCSKDF-UHFFFAOYSA-N
XLogP1.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-3-(3-methylbutyl)-1,2,6-thiadiazinane 1,1-dioxide?
The IUPAC name of 4-ethyl-2-methyl-3-(3-methylbutyl)-1,2,6-thiadiazinane 1,1-dioxide (CID 118241953) is 4-ethyl-2-methyl-3-(3-methylbutyl)-1,2,6-thiadiazinane 1,1-dioxide.
What is the SMILES notation for 4-ethyl-2-methyl-3-(3-methylbutyl)-1,2,6-thiadiazinane 1,1-dioxide?
The canonical SMILES for 4-ethyl-2-methyl-3-(3-methylbutyl)-1,2,6-thiadiazinane 1,1-dioxide is CCC1CNS(=O)(=O)N(C)C1CCC(C)C.
What is the InChIKey of 4-ethyl-2-methyl-3-(3-methylbutyl)-1,2,6-thiadiazinane 1,1-dioxide?
The InChIKey is WPKMVDQAPCSKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-5-10-8-12-16(14,15)13(4)11(10)7-6-9(2)3/h9-12H,5-8H2,1-4H3.
What are the key properties of 4-ethyl-2-methyl-3-(3-methylbutyl)-1,2,6-thiadiazinane 1,1-dioxide?
4-ethyl-2-methyl-3-(3-methylbutyl)-1,2,6-thiadiazinane 1,1-dioxide has a molecular weight of 248.39 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-3-(3-methylbutyl)-1,2,6-thiadiazinane 1,1-dioxide is sourced from PubChem (CID 118241953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).