3-methyl-4-propan-2-ylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide

C10H13N3O2S — CID 10610041

IUPAC3-methyl-4-propan-2-ylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCC1=NS(=O)(=O)c2cnccc2N1C(C)C
InChIInChI=1S/C10H13N3O2S/c1-7(2)13-8(3)12-16(14,15)10-6-11-5-4-9(10)13/h4-7H,1-3H3
InChIKeyOFSWEGVTFCKUIQ-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.42
Rot. Bonds1

About 3-methyl-4-propan-2-ylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide

3-methyl-4-propan-2-ylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide (PubChem CID 10610041) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 3-methyl-4-propan-2-ylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide.

Molecular Properties

Compound Name3-methyl-4-propan-2-ylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
PubChem CID10610041
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name3-methyl-4-propan-2-ylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCC1=NS(=O)(=O)c2cnccc2N1C(C)C
InChIInChI=1S/C10H13N3O2S/c1-7(2)13-8(3)12-16(14,15)10-6-11-5-4-9(10)13/h4-7H,1-3H3
InChIKeyOFSWEGVTFCKUIQ-UHFFFAOYSA-N
XLogP1.42
TPSA62.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propan-2-ylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The IUPAC name of 3-methyl-4-propan-2-ylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide (CID 10610041) is 3-methyl-4-propan-2-ylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide.
What is the SMILES notation for 3-methyl-4-propan-2-ylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The canonical SMILES for 3-methyl-4-propan-2-ylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide is CC1=NS(=O)(=O)c2cnccc2N1C(C)C.
What is the InChIKey of 3-methyl-4-propan-2-ylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The InChIKey is OFSWEGVTFCKUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-7(2)13-8(3)12-16(14,15)10-6-11-5-4-9(10)13/h4-7H,1-3H3.
What are the key properties of 3-methyl-4-propan-2-ylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
3-methyl-4-propan-2-ylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide has a molecular weight of 239.30 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propan-2-ylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide is sourced from PubChem (CID 10610041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).