7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]thiazine

C11H15NS — CID 143248573

IUPAC7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]thiazine
SMILESCC1(C)C=CC2=C(C=C1)SCCN2
InChIInChI=1S/C11H15NS/c1-11(2)5-3-9-10(4-6-11)13-8-7-12-9/h3-6,12H,7-8H2,1-2H3
InChIKeyCHYXFXXSIFOIRU-UHFFFAOYSA-N
MW193.31 g/mol
LogP2.69
Rot. Bonds

About 7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]thiazine

7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]thiazine (PubChem CID 143248573) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]thiazine.

Molecular Properties

Compound Name7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]thiazine
PubChem CID143248573
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]thiazine
SMILESCC1(C)C=CC2=C(C=C1)SCCN2
InChIInChI=1S/C11H15NS/c1-11(2)5-3-9-10(4-6-11)13-8-7-12-9/h3-6,12H,7-8H2,1-2H3
InChIKeyCHYXFXXSIFOIRU-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]thiazine?
The IUPAC name of 7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]thiazine (CID 143248573) is 7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]thiazine.
What is the SMILES notation for 7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]thiazine?
The canonical SMILES for 7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]thiazine is CC1(C)C=CC2=C(C=C1)SCCN2.
What is the InChIKey of 7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]thiazine?
The InChIKey is CHYXFXXSIFOIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-11(2)5-3-9-10(4-6-11)13-8-7-12-9/h3-6,12H,7-8H2,1-2H3.
What are the key properties of 7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]thiazine?
7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]thiazine has a molecular weight of 193.31 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]thiazine is sourced from PubChem (CID 143248573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).