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

C11H15NS — CID 123951837

IUPAC(10E)-5-methyl-3,5,6,7-tetrahydro-2H-cycloocta[b][1,4]thiazine
SMILESCC1CCC=C/C=C2/SCCN=C21
InChIInChI=1S/C11H15NS/c1-9-5-3-2-4-6-10-11(9)12-7-8-13-10/h2,4,6,9H,3,5,7-8H2,1H3/b4-2?,10-6+
InChIKeyGCRPNYKNJJTZTG-RJBWDCRTSA-N
MW193.31 g/mol
LogP3.04
Rot. Bonds

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

(10E)-5-methyl-3,5,6,7-tetrahydro-2H-cycloocta[b][1,4]thiazine (PubChem CID 123951837) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is (10E)-5-methyl-3,5,6,7-tetrahydro-2H-cycloocta[b][1,4]thiazine.

Molecular Properties

Compound Name(10E)-5-methyl-3,5,6,7-tetrahydro-2H-cycloocta[b][1,4]thiazine
PubChem CID123951837
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name(10E)-5-methyl-3,5,6,7-tetrahydro-2H-cycloocta[b][1,4]thiazine
SMILESCC1CCC=C/C=C2/SCCN=C21
InChIInChI=1S/C11H15NS/c1-9-5-3-2-4-6-10-11(9)12-7-8-13-10/h2,4,6,9H,3,5,7-8H2,1H3/b4-2?,10-6+
InChIKeyGCRPNYKNJJTZTG-RJBWDCRTSA-N
XLogP3.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 91098994
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CID 91182831
(6E)-5-butan-2-yl-6-but-2-enylidene-2,3-dihydro-1,4-thiazine
CID 123212945
(6E)-5-butan-2-yl-6-prop-2-enylidene-2,3-dihydro-1,4-thiazine
CID 123616047
5-methylsulfanyl-3,3a,4,5-tetrahydro-2H-indole
CID 123767400
8-(2-methylpropyl)-5,6-dihydro-2H-thiopyrano[2,3-c]pyridine
CID 137412243
(2E)-N-ethyl-3-(4-methylcyclohex-2-en-1-yl)sulfanylpenta-2,4-dien-1-imine;propane
CID 143703437
(3aS,7aR)-N,4,7a-trimethyl-3aH-1-benzothiophen-3-imine
CID 156555710
6-Cyclopropyl-5-ethenyl-4-methylsulfanyl-2,3-dihydropyridine
CID 177183317
(1S,6R)-8-ethylsulfanyl-7-azabicyclo[4.2.0]octa-3,7-diene
CID 21763210
(2E)-N-ethyl-3-(4-methylcyclohex-2-en-1-yl)sulfanylpenta-2,4-dien-1-imine
CID 143703438
(6Z)-6-ethylidene-N-methyl-4-[(Z)-2-methylsulfanyl-5-propyloct-1-enyl]cyclohexa-2,4-dien-1-imine
CID 145557831

Frequently Asked Questions

What is the IUPAC name of (10E)-5-methyl-3,5,6,7-tetrahydro-2H-cycloocta[b][1,4]thiazine?
The IUPAC name of (10E)-5-methyl-3,5,6,7-tetrahydro-2H-cycloocta[b][1,4]thiazine (CID 123951837) is (10E)-5-methyl-3,5,6,7-tetrahydro-2H-cycloocta[b][1,4]thiazine.
What is the SMILES notation for (10E)-5-methyl-3,5,6,7-tetrahydro-2H-cycloocta[b][1,4]thiazine?
The canonical SMILES for (10E)-5-methyl-3,5,6,7-tetrahydro-2H-cycloocta[b][1,4]thiazine is CC1CCC=C/C=C2/SCCN=C21.
What is the InChIKey of (10E)-5-methyl-3,5,6,7-tetrahydro-2H-cycloocta[b][1,4]thiazine?
The InChIKey is GCRPNYKNJJTZTG-RJBWDCRTSA-N. The full InChI is InChI=1S/C11H15NS/c1-9-5-3-2-4-6-10-11(9)12-7-8-13-10/h2,4,6,9H,3,5,7-8H2,1H3/b4-2?,10-6+.
What are the key properties of (10E)-5-methyl-3,5,6,7-tetrahydro-2H-cycloocta[b][1,4]thiazine?
(10E)-5-methyl-3,5,6,7-tetrahydro-2H-cycloocta[b][1,4]thiazine has a molecular weight of 193.31 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10E)-5-methyl-3,5,6,7-tetrahydro-2H-cycloocta[b][1,4]thiazine is sourced from PubChem (CID 123951837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).