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

C12H14N2OS — CID 82909395

IUPAC10-methyl-2,4,4a,6-tetrahydro-1H-[1,4]thiazino[4,3-a]quinoxalin-5-one
SMILESCc1cccc2c1N1CCSCC1C(=O)N2
InChIInChI=1S/C12H14N2OS/c1-8-3-2-4-9-11(8)14-5-6-16-7-10(14)12(15)13-9/h2-4,10H,5-7H2,1H3,(H,13,15)
InChIKeyVVOPFMVBIUIABG-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.87
Rot. Bonds

About 10-methyl-2,4,4a,6-tetrahydro-1H-[1,4]thiazino[4,3-a]quinoxalin-5-one

10-methyl-2,4,4a,6-tetrahydro-1H-[1,4]thiazino[4,3-a]quinoxalin-5-one (PubChem CID 82909395) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 10-methyl-2,4,4a,6-tetrahydro-1H-[1,4]thiazino[4,3-a]quinoxalin-5-one.

Molecular Properties

Compound Name10-methyl-2,4,4a,6-tetrahydro-1H-[1,4]thiazino[4,3-a]quinoxalin-5-one
PubChem CID82909395
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name10-methyl-2,4,4a,6-tetrahydro-1H-[1,4]thiazino[4,3-a]quinoxalin-5-one
SMILESCc1cccc2c1N1CCSCC1C(=O)N2
InChIInChI=1S/C12H14N2OS/c1-8-3-2-4-9-11(8)14-5-6-16-7-10(14)12(15)13-9/h2-4,10H,5-7H2,1H3,(H,13,15)
InChIKeyVVOPFMVBIUIABG-UHFFFAOYSA-N
XLogP1.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-2,4,4a,6-tetrahydro-1H-[1,4]thiazino[4,3-a]quinoxalin-5-one?
The IUPAC name of 10-methyl-2,4,4a,6-tetrahydro-1H-[1,4]thiazino[4,3-a]quinoxalin-5-one (CID 82909395) is 10-methyl-2,4,4a,6-tetrahydro-1H-[1,4]thiazino[4,3-a]quinoxalin-5-one.
What is the SMILES notation for 10-methyl-2,4,4a,6-tetrahydro-1H-[1,4]thiazino[4,3-a]quinoxalin-5-one?
The canonical SMILES for 10-methyl-2,4,4a,6-tetrahydro-1H-[1,4]thiazino[4,3-a]quinoxalin-5-one is Cc1cccc2c1N1CCSCC1C(=O)N2.
What is the InChIKey of 10-methyl-2,4,4a,6-tetrahydro-1H-[1,4]thiazino[4,3-a]quinoxalin-5-one?
The InChIKey is VVOPFMVBIUIABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-8-3-2-4-9-11(8)14-5-6-16-7-10(14)12(15)13-9/h2-4,10H,5-7H2,1H3,(H,13,15).
What are the key properties of 10-methyl-2,4,4a,6-tetrahydro-1H-[1,4]thiazino[4,3-a]quinoxalin-5-one?
10-methyl-2,4,4a,6-tetrahydro-1H-[1,4]thiazino[4,3-a]quinoxalin-5-one has a molecular weight of 234.32 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-2,4,4a,6-tetrahydro-1H-[1,4]thiazino[4,3-a]quinoxalin-5-one is sourced from PubChem (CID 82909395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).