3,4-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]thiazine

C11H15NS — CID 91155839

IUPAC3,4-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]thiazine
SMILESCC1CSC2=CCC=CC=C2N1C
InChIInChI=1S/C11H15NS/c1-9-8-13-11-7-5-3-4-6-10(11)12(9)2/h3-4,6-7,9H,5,8H2,1-2H3
InChIKeyRNTZCIBLZMVCIO-UHFFFAOYSA-N
MW193.31 g/mol
LogP2.78
Rot. Bonds

About 3,4-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]thiazine

3,4-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]thiazine (PubChem CID 91155839) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 3,4-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]thiazine.

Molecular Properties

Compound Name3,4-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]thiazine
PubChem CID91155839
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name3,4-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]thiazine
SMILESCC1CSC2=CCC=CC=C2N1C
InChIInChI=1S/C11H15NS/c1-9-8-13-11-7-5-3-4-6-10(11)12(9)2/h3-4,6-7,9H,5,8H2,1-2H3
InChIKeyRNTZCIBLZMVCIO-UHFFFAOYSA-N
XLogP2.78
TPSA3.24 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 ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]thiazine?
The IUPAC name of 3,4-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]thiazine (CID 91155839) is 3,4-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]thiazine.
What is the SMILES notation for 3,4-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]thiazine?
The canonical SMILES for 3,4-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]thiazine is CC1CSC2=CCC=CC=C2N1C.
What is the InChIKey of 3,4-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]thiazine?
The InChIKey is RNTZCIBLZMVCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-9-8-13-11-7-5-3-4-6-10(11)12(9)2/h3-4,6-7,9H,5,8H2,1-2H3.
What are the key properties of 3,4-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]thiazine?
3,4-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]thiazine has a molecular weight of 193.31 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]thiazine is sourced from PubChem (CID 91155839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).