3-oxo-2,4,4a,6-tetrahydro-1H-[1,4]thiazino[4,3-a]quinoxalin-5-one

C11H12N2O2S — CID 105357127

IUPAC3-oxo-2,4,4a,6-tetrahydro-1H-[1,4]thiazino[4,3-a]quinoxalin-5-one
SMILESO=C1Nc2ccccc2N2CCS(=O)CC12
InChIInChI=1S/C11H12N2O2S/c14-11-10-7-16(15)6-5-13(10)9-4-2-1-3-8(9)12-11/h1-4,10H,5-7H2,(H,12,14)
InChIKeyFWLRSVJUYRECKC-UHFFFAOYSA-N
MW236.30 g/mol
LogP0.58
Rot. Bonds

About 3-oxo-2,4,4a,6-tetrahydro-1H-[1,4]thiazino[4,3-a]quinoxalin-5-one

3-oxo-2,4,4a,6-tetrahydro-1H-[1,4]thiazino[4,3-a]quinoxalin-5-one (PubChem CID 105357127) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 3-oxo-2,4,4a,6-tetrahydro-1H-[1,4]thiazino[4,3-a]quinoxalin-5-one.

Molecular Properties

Compound Name3-oxo-2,4,4a,6-tetrahydro-1H-[1,4]thiazino[4,3-a]quinoxalin-5-one
PubChem CID105357127
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name3-oxo-2,4,4a,6-tetrahydro-1H-[1,4]thiazino[4,3-a]quinoxalin-5-one
SMILESO=C1Nc2ccccc2N2CCS(=O)CC12
InChIInChI=1S/C11H12N2O2S/c14-11-10-7-16(15)6-5-13(10)9-4-2-1-3-8(9)12-11/h1-4,10H,5-7H2,(H,12,14)
InChIKeyFWLRSVJUYRECKC-UHFFFAOYSA-N
XLogP0.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
CID 3127917
12,12,14,14-tetramethyl-1,8-diazatricyclo[8.6.0.02,7]hexadeca-2,4,6-trien-9-one
CID 90243737
(2aR)-2a,4-dihydro-2H-azeto[1,2-a]quinoxaline-1,3-dione
CID 29021487
9-iodo-3-oxo-1,2,4,4a,5,7-hexahydro-[1,4]thiazino[4,3-a][1,5]benzodiazepin-6-one
CID 105357267
7-iodo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
CID 79290980
(3aS)-7-nitro-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
CID 11075312
3-amino-5-cyclohexyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 18321635
(3aR)-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylic acid
CID 1487670
(3aS)-10,10-dioxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-b][1,2,5]benzothiadiazepin-4-one
CID 59684194
(3aS)-7-methoxy-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
CID 135040177
1-(3-chlorophenyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
CID 86585689
6a,7,8,11-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,9-dione
CID 11820613

Frequently Asked Questions

What is the IUPAC name of 3-oxo-2,4,4a,6-tetrahydro-1H-[1,4]thiazino[4,3-a]quinoxalin-5-one?
The IUPAC name of 3-oxo-2,4,4a,6-tetrahydro-1H-[1,4]thiazino[4,3-a]quinoxalin-5-one (CID 105357127) is 3-oxo-2,4,4a,6-tetrahydro-1H-[1,4]thiazino[4,3-a]quinoxalin-5-one.
What is the SMILES notation for 3-oxo-2,4,4a,6-tetrahydro-1H-[1,4]thiazino[4,3-a]quinoxalin-5-one?
The canonical SMILES for 3-oxo-2,4,4a,6-tetrahydro-1H-[1,4]thiazino[4,3-a]quinoxalin-5-one is O=C1Nc2ccccc2N2CCS(=O)CC12.
What is the InChIKey of 3-oxo-2,4,4a,6-tetrahydro-1H-[1,4]thiazino[4,3-a]quinoxalin-5-one?
The InChIKey is FWLRSVJUYRECKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c14-11-10-7-16(15)6-5-13(10)9-4-2-1-3-8(9)12-11/h1-4,10H,5-7H2,(H,12,14).
What are the key properties of 3-oxo-2,4,4a,6-tetrahydro-1H-[1,4]thiazino[4,3-a]quinoxalin-5-one?
3-oxo-2,4,4a,6-tetrahydro-1H-[1,4]thiazino[4,3-a]quinoxalin-5-one has a molecular weight of 236.30 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2,4,4a,6-tetrahydro-1H-[1,4]thiazino[4,3-a]quinoxalin-5-one is sourced from PubChem (CID 105357127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).