8-ethoxy-3-oxo-1,2,4,4a,5,7-hexahydro-[1,4]thiazino[4,3-a][1,5]benzodiazepin-6-one

C14H18N2O3S — CID 105357295

IUPAC8-ethoxy-3-oxo-1,2,4,4a,5,7-hexahydro-[1,4]thiazino[4,3-a][1,5]benzodiazepin-6-one
SMILESCCOc1cccc2c1NC(=O)CC1CS(=O)CCN21
InChIInChI=1S/C14H18N2O3S/c1-2-19-12-5-3-4-11-14(12)15-13(17)8-10-9-20(18)7-6-16(10)11/h3-5,10H,2,6-9H2,1H3,(H,15,17)
InChIKeyOUSWNPQYXAUZCW-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.36
Rot. Bonds2

About 8-ethoxy-3-oxo-1,2,4,4a,5,7-hexahydro-[1,4]thiazino[4,3-a][1,5]benzodiazepin-6-one

8-ethoxy-3-oxo-1,2,4,4a,5,7-hexahydro-[1,4]thiazino[4,3-a][1,5]benzodiazepin-6-one (PubChem CID 105357295) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 8-ethoxy-3-oxo-1,2,4,4a,5,7-hexahydro-[1,4]thiazino[4,3-a][1,5]benzodiazepin-6-one.

Molecular Properties

Compound Name8-ethoxy-3-oxo-1,2,4,4a,5,7-hexahydro-[1,4]thiazino[4,3-a][1,5]benzodiazepin-6-one
PubChem CID105357295
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name8-ethoxy-3-oxo-1,2,4,4a,5,7-hexahydro-[1,4]thiazino[4,3-a][1,5]benzodiazepin-6-one
SMILESCCOc1cccc2c1NC(=O)CC1CS(=O)CCN21
InChIInChI=1S/C14H18N2O3S/c1-2-19-12-5-3-4-11-14(12)15-13(17)8-10-9-20(18)7-6-16(10)11/h3-5,10H,2,6-9H2,1H3,(H,15,17)
InChIKeyOUSWNPQYXAUZCW-UHFFFAOYSA-N
XLogP1.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-ethoxy-3-oxo-1,2,4,4a,5,7-hexahydro-[1,4]thiazino[4,3-a][1,5]benzodiazepin-6-one with MolForge

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Related Compounds

6-ethoxy-3-methyl-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
CID 102783839
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6-methoxy-1-propan-2-yl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 113393211
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CID 54975575
9-(2-ethoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-one
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1-(2-ethoxyphenyl)-3-propyl-1,4-diazepane-2,5-dione
CID 64957042
1-(2-ethoxyphenyl)-4-methylpyrrolidin-2-one
CID 129259594
ethane;1-(2-ethoxyphenyl)piperazine
CID 142040905
6-propan-2-yloxy-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
CID 113393558
6-ethoxy-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 105356162
1-(2-ethoxyphenyl)-4-propan-2-ylpyrrolidin-2-one
CID 139322997

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-3-oxo-1,2,4,4a,5,7-hexahydro-[1,4]thiazino[4,3-a][1,5]benzodiazepin-6-one?
The IUPAC name of 8-ethoxy-3-oxo-1,2,4,4a,5,7-hexahydro-[1,4]thiazino[4,3-a][1,5]benzodiazepin-6-one (CID 105357295) is 8-ethoxy-3-oxo-1,2,4,4a,5,7-hexahydro-[1,4]thiazino[4,3-a][1,5]benzodiazepin-6-one.
What is the SMILES notation for 8-ethoxy-3-oxo-1,2,4,4a,5,7-hexahydro-[1,4]thiazino[4,3-a][1,5]benzodiazepin-6-one?
The canonical SMILES for 8-ethoxy-3-oxo-1,2,4,4a,5,7-hexahydro-[1,4]thiazino[4,3-a][1,5]benzodiazepin-6-one is CCOc1cccc2c1NC(=O)CC1CS(=O)CCN21.
What is the InChIKey of 8-ethoxy-3-oxo-1,2,4,4a,5,7-hexahydro-[1,4]thiazino[4,3-a][1,5]benzodiazepin-6-one?
The InChIKey is OUSWNPQYXAUZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-2-19-12-5-3-4-11-14(12)15-13(17)8-10-9-20(18)7-6-16(10)11/h3-5,10H,2,6-9H2,1H3,(H,15,17).
What are the key properties of 8-ethoxy-3-oxo-1,2,4,4a,5,7-hexahydro-[1,4]thiazino[4,3-a][1,5]benzodiazepin-6-one?
8-ethoxy-3-oxo-1,2,4,4a,5,7-hexahydro-[1,4]thiazino[4,3-a][1,5]benzodiazepin-6-one has a molecular weight of 294.38 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-3-oxo-1,2,4,4a,5,7-hexahydro-[1,4]thiazino[4,3-a][1,5]benzodiazepin-6-one is sourced from PubChem (CID 105357295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).