3-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b][1,4]thiazine

C12H15NS — CID 66218911

IUPAC3-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b][1,4]thiazine
SMILESCC1CSC2Cc3ccccc3C2N1
InChIInChI=1S/C12H15NS/c1-8-7-14-11-6-9-4-2-3-5-10(9)12(11)13-8/h2-5,8,11-13H,6-7H2,1H3
InChIKeyQXHJIMUDXXVMAI-UHFFFAOYSA-N
MW205.33 g/mol
LogP2.38
Rot. Bonds

About 3-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b][1,4]thiazine

3-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b][1,4]thiazine (PubChem CID 66218911) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is 3-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b][1,4]thiazine.

Molecular Properties

Compound Name3-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b][1,4]thiazine
PubChem CID66218911
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name3-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b][1,4]thiazine
SMILESCC1CSC2Cc3ccccc3C2N1
InChIInChI=1S/C12H15NS/c1-8-7-14-11-6-9-4-2-3-5-10(9)12(11)13-8/h2-5,8,11-13H,6-7H2,1H3
InChIKeyQXHJIMUDXXVMAI-UHFFFAOYSA-N
XLogP2.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b][1,4]thiazine with MolForge

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Related Compounds

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CID 59694666
CID 59694666
(2aR,7bS)-2,2a,3,7b-tetrahydro-1H-indeno[1,2-b]azete
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(1S,3S)-1,3-dimethyl-3,4-dihydro-1H-isochromene
CID 6429796
2-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f][1,4]benzothiazine 4-oxide
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CID 89059414
(1R,9S)-14-azatricyclo[7.4.1.02,7]tetradeca-2,4,6,11-tetraene
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1-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-2,3-dihydro-1H-isoindole
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b][1,4]thiazine?
The IUPAC name of 3-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b][1,4]thiazine (CID 66218911) is 3-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b][1,4]thiazine.
What is the SMILES notation for 3-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b][1,4]thiazine?
The canonical SMILES for 3-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b][1,4]thiazine is CC1CSC2Cc3ccccc3C2N1.
What is the InChIKey of 3-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b][1,4]thiazine?
The InChIKey is QXHJIMUDXXVMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-8-7-14-11-6-9-4-2-3-5-10(9)12(11)13-8/h2-5,8,11-13H,6-7H2,1H3.
What are the key properties of 3-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b][1,4]thiazine?
3-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b][1,4]thiazine has a molecular weight of 205.33 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b][1,4]thiazine is sourced from PubChem (CID 66218911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).