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

C9H10ClN3O2S — CID 118719354

IUPAC7-chloro-4-cyclopropyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESO=S1(=O)NCN(C2CC2)c2ncc(Cl)cc21
InChIInChI=1S/C9H10ClN3O2S/c10-6-3-8-9(11-4-6)13(7-1-2-7)5-12-16(8,14)15/h3-4,7,12H,1-2,5H2
InChIKeyIZINPWUNDGJTSY-UHFFFAOYSA-N
MW259.72 g/mol
LogP0.95
Rot. Bonds1

About 7-chloro-4-cyclopropyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide

7-chloro-4-cyclopropyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide (PubChem CID 118719354) has the molecular formula C9H10ClN3O2S and a molecular weight of 259.72 g/mol. Its IUPAC name is 7-chloro-4-cyclopropyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide.

Molecular Properties

Compound Name7-chloro-4-cyclopropyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide
PubChem CID118719354
Molecular FormulaC9H10ClN3O2S
Molecular Weight259.72 g/mol
Exact Mass259.02
IUPAC Name7-chloro-4-cyclopropyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESO=S1(=O)NCN(C2CC2)c2ncc(Cl)cc21
InChIInChI=1S/C9H10ClN3O2S/c10-6-3-8-9(11-4-6)13(7-1-2-7)5-12-16(8,14)15/h3-4,7,12H,1-2,5H2
InChIKeyIZINPWUNDGJTSY-UHFFFAOYSA-N
XLogP0.95
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.72
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-cyclopropyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide?
The IUPAC name of 7-chloro-4-cyclopropyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide (CID 118719354) is 7-chloro-4-cyclopropyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide.
What is the SMILES notation for 7-chloro-4-cyclopropyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide?
The canonical SMILES for 7-chloro-4-cyclopropyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide is O=S1(=O)NCN(C2CC2)c2ncc(Cl)cc21.
What is the InChIKey of 7-chloro-4-cyclopropyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide?
The InChIKey is IZINPWUNDGJTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2S/c10-6-3-8-9(11-4-6)13(7-1-2-7)5-12-16(8,14)15/h3-4,7,12H,1-2,5H2.
What are the key properties of 7-chloro-4-cyclopropyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide?
7-chloro-4-cyclopropyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide has a molecular weight of 259.72 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-cyclopropyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide is sourced from PubChem (CID 118719354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).