4-cyclopropyl-2,3-dihydropyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide

C9H11N3O2S — CID 118719353

IUPAC4-cyclopropyl-2,3-dihydropyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide
SMILESO=S1(=O)NCN(C2CC2)c2cccnc21
InChIInChI=1S/C9H11N3O2S/c13-15(14)9-8(2-1-5-10-9)12(6-11-15)7-3-4-7/h1-2,5,7,11H,3-4,6H2
InChIKeyMMUKUKSKUYKHNM-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.30
Rot. Bonds1

About 4-cyclopropyl-2,3-dihydropyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide

4-cyclopropyl-2,3-dihydropyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide (PubChem CID 118719353) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 4-cyclopropyl-2,3-dihydropyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide.

Molecular Properties

Compound Name4-cyclopropyl-2,3-dihydropyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide
PubChem CID118719353
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name4-cyclopropyl-2,3-dihydropyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide
SMILESO=S1(=O)NCN(C2CC2)c2cccnc21
InChIInChI=1S/C9H11N3O2S/c13-15(14)9-8(2-1-5-10-9)12(6-11-15)7-3-4-7/h1-2,5,7,11H,3-4,6H2
InChIKeyMMUKUKSKUYKHNM-UHFFFAOYSA-N
XLogP0.30
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2,3-dihydropyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide?
The IUPAC name of 4-cyclopropyl-2,3-dihydropyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide (CID 118719353) is 4-cyclopropyl-2,3-dihydropyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide.
What is the SMILES notation for 4-cyclopropyl-2,3-dihydropyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide?
The canonical SMILES for 4-cyclopropyl-2,3-dihydropyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide is O=S1(=O)NCN(C2CC2)c2cccnc21.
What is the InChIKey of 4-cyclopropyl-2,3-dihydropyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide?
The InChIKey is MMUKUKSKUYKHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c13-15(14)9-8(2-1-5-10-9)12(6-11-15)7-3-4-7/h1-2,5,7,11H,3-4,6H2.
What are the key properties of 4-cyclopropyl-2,3-dihydropyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide?
4-cyclopropyl-2,3-dihydropyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide has a molecular weight of 225.27 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2,3-dihydropyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide is sourced from PubChem (CID 118719353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).