10-chloro-1,2,4,4a,5,6-hexahydro-[1,4]thiazino[4,3-a]quinoxaline

C11H13ClN2S — CID 82908449

IUPAC10-chloro-1,2,4,4a,5,6-hexahydro-[1,4]thiazino[4,3-a]quinoxaline
SMILESClc1cccc2c1N1CCSCC1CN2
InChIInChI=1S/C11H13ClN2S/c12-9-2-1-3-10-11(9)14-4-5-15-7-8(14)6-13-10/h1-3,8,13H,4-7H2
InChIKeyCATHPKUIRUNEQO-UHFFFAOYSA-N
MW240.76 g/mol
LogP2.69
Rot. Bonds

About 10-chloro-1,2,4,4a,5,6-hexahydro-[1,4]thiazino[4,3-a]quinoxaline

10-chloro-1,2,4,4a,5,6-hexahydro-[1,4]thiazino[4,3-a]quinoxaline (PubChem CID 82908449) has the molecular formula C11H13ClN2S and a molecular weight of 240.76 g/mol. Its IUPAC name is 10-chloro-1,2,4,4a,5,6-hexahydro-[1,4]thiazino[4,3-a]quinoxaline.

Molecular Properties

Compound Name10-chloro-1,2,4,4a,5,6-hexahydro-[1,4]thiazino[4,3-a]quinoxaline
PubChem CID82908449
Molecular FormulaC11H13ClN2S
Molecular Weight240.76 g/mol
Exact Mass240.05
IUPAC Name10-chloro-1,2,4,4a,5,6-hexahydro-[1,4]thiazino[4,3-a]quinoxaline
SMILESClc1cccc2c1N1CCSCC1CN2
InChIInChI=1S/C11H13ClN2S/c12-9-2-1-3-10-11(9)14-4-5-15-7-8(14)6-13-10/h1-3,8,13H,4-7H2
InChIKeyCATHPKUIRUNEQO-UHFFFAOYSA-N
XLogP2.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.76
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-chloro-1,2,4,4a,5,6-hexahydro-[1,4]thiazino[4,3-a]quinoxaline?
The IUPAC name of 10-chloro-1,2,4,4a,5,6-hexahydro-[1,4]thiazino[4,3-a]quinoxaline (CID 82908449) is 10-chloro-1,2,4,4a,5,6-hexahydro-[1,4]thiazino[4,3-a]quinoxaline.
What is the SMILES notation for 10-chloro-1,2,4,4a,5,6-hexahydro-[1,4]thiazino[4,3-a]quinoxaline?
The canonical SMILES for 10-chloro-1,2,4,4a,5,6-hexahydro-[1,4]thiazino[4,3-a]quinoxaline is Clc1cccc2c1N1CCSCC1CN2.
What is the InChIKey of 10-chloro-1,2,4,4a,5,6-hexahydro-[1,4]thiazino[4,3-a]quinoxaline?
The InChIKey is CATHPKUIRUNEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2S/c12-9-2-1-3-10-11(9)14-4-5-15-7-8(14)6-13-10/h1-3,8,13H,4-7H2.
What are the key properties of 10-chloro-1,2,4,4a,5,6-hexahydro-[1,4]thiazino[4,3-a]quinoxaline?
10-chloro-1,2,4,4a,5,6-hexahydro-[1,4]thiazino[4,3-a]quinoxaline has a molecular weight of 240.76 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-1,2,4,4a,5,6-hexahydro-[1,4]thiazino[4,3-a]quinoxaline is sourced from PubChem (CID 82908449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).