(4aZ,8Z,10E)-5-methyl-3,4,6,7-tetrahydro-2H-cycloocta[b][1,4]thiazine

C11H15NS — CID 142992597

IUPAC(4aZ,8Z,10E)-5-methyl-3,4,6,7-tetrahydro-2H-cycloocta[b][1,4]thiazine
SMILESC/C1=C2\NCCS\C2=C\C=C/CC1
InChIInChI=1S/C11H15NS/c1-9-5-3-2-4-6-10-11(9)12-7-8-13-10/h2,4,6,12H,3,5,7-8H2,1H3/b4-2-,10-6+,11-9+
InChIKeyDOZBBRBGCCUDNP-WRSJRZCCSA-N
MW193.31 g/mol
LogP2.83
Rot. Bonds

About (4aZ,8Z,10E)-5-methyl-3,4,6,7-tetrahydro-2H-cycloocta[b][1,4]thiazine

(4aZ,8Z,10E)-5-methyl-3,4,6,7-tetrahydro-2H-cycloocta[b][1,4]thiazine (PubChem CID 142992597) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is (4aZ,8Z,10E)-5-methyl-3,4,6,7-tetrahydro-2H-cycloocta[b][1,4]thiazine.

Molecular Properties

Compound Name(4aZ,8Z,10E)-5-methyl-3,4,6,7-tetrahydro-2H-cycloocta[b][1,4]thiazine
PubChem CID142992597
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name(4aZ,8Z,10E)-5-methyl-3,4,6,7-tetrahydro-2H-cycloocta[b][1,4]thiazine
SMILESC/C1=C2\NCCS\C2=C\C=C/CC1
InChIInChI=1S/C11H15NS/c1-9-5-3-2-4-6-10-11(9)12-7-8-13-10/h2,4,6,12H,3,5,7-8H2,1H3/b4-2-,10-6+,11-9+
InChIKeyDOZBBRBGCCUDNP-WRSJRZCCSA-N
XLogP2.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aZ,8Z,10E)-5-methyl-3,4,6,7-tetrahydro-2H-cycloocta[b][1,4]thiazine?
The IUPAC name of (4aZ,8Z,10E)-5-methyl-3,4,6,7-tetrahydro-2H-cycloocta[b][1,4]thiazine (CID 142992597) is (4aZ,8Z,10E)-5-methyl-3,4,6,7-tetrahydro-2H-cycloocta[b][1,4]thiazine.
What is the SMILES notation for (4aZ,8Z,10E)-5-methyl-3,4,6,7-tetrahydro-2H-cycloocta[b][1,4]thiazine?
The canonical SMILES for (4aZ,8Z,10E)-5-methyl-3,4,6,7-tetrahydro-2H-cycloocta[b][1,4]thiazine is C/C1=C2\NCCS\C2=C\C=C/CC1.
What is the InChIKey of (4aZ,8Z,10E)-5-methyl-3,4,6,7-tetrahydro-2H-cycloocta[b][1,4]thiazine?
The InChIKey is DOZBBRBGCCUDNP-WRSJRZCCSA-N. The full InChI is InChI=1S/C11H15NS/c1-9-5-3-2-4-6-10-11(9)12-7-8-13-10/h2,4,6,12H,3,5,7-8H2,1H3/b4-2-,10-6+,11-9+.
What are the key properties of (4aZ,8Z,10E)-5-methyl-3,4,6,7-tetrahydro-2H-cycloocta[b][1,4]thiazine?
(4aZ,8Z,10E)-5-methyl-3,4,6,7-tetrahydro-2H-cycloocta[b][1,4]thiazine has a molecular weight of 193.31 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aZ,8Z,10E)-5-methyl-3,4,6,7-tetrahydro-2H-cycloocta[b][1,4]thiazine is sourced from PubChem (CID 142992597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).