4-cyclohexyl-3-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide

C13H17N3O2S — CID 10707800

IUPAC4-cyclohexyl-3-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCC1=NS(=O)(=O)c2cnccc2N1C1CCCCC1
InChIInChI=1S/C13H17N3O2S/c1-10-15-19(17,18)13-9-14-8-7-12(13)16(10)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3
InChIKeyBHWCJYVGTOOZAA-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.34
Rot. Bonds1

About 4-cyclohexyl-3-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide

4-cyclohexyl-3-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide (PubChem CID 10707800) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 4-cyclohexyl-3-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide.

Molecular Properties

Compound Name4-cyclohexyl-3-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
PubChem CID10707800
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name4-cyclohexyl-3-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCC1=NS(=O)(=O)c2cnccc2N1C1CCCCC1
InChIInChI=1S/C13H17N3O2S/c1-10-15-19(17,18)13-9-14-8-7-12(13)16(10)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3
InChIKeyBHWCJYVGTOOZAA-UHFFFAOYSA-N
XLogP2.34
TPSA62.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-3-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The IUPAC name of 4-cyclohexyl-3-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide (CID 10707800) is 4-cyclohexyl-3-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide.
What is the SMILES notation for 4-cyclohexyl-3-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The canonical SMILES for 4-cyclohexyl-3-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide is CC1=NS(=O)(=O)c2cnccc2N1C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-3-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The InChIKey is BHWCJYVGTOOZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-10-15-19(17,18)13-9-14-8-7-12(13)16(10)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3.
What are the key properties of 4-cyclohexyl-3-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
4-cyclohexyl-3-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide has a molecular weight of 279.36 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-3-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide is sourced from PubChem (CID 10707800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).