11-ethyl-3,9-dihydro-2H-cyclohepta[b][1,4]benzothiazine

C15H17NS — CID 123776014

IUPAC11-ethyl-3,9-dihydro-2H-cyclohepta[b][1,4]benzothiazine
SMILESCCN1C2=CCC=CC=C2SC2=CCCC=C21
InChIInChI=1S/C15H17NS/c1-2-16-12-8-4-3-5-10-14(12)17-15-11-7-6-9-13(15)16/h3,5,8-11H,2,4,6-7H2,1H3
InChIKeyMEDYAVPRDWMVSF-UHFFFAOYSA-N
MW243.37 g/mol
LogP4.34
Rot. Bonds1

About 11-ethyl-3,9-dihydro-2H-cyclohepta[b][1,4]benzothiazine

11-ethyl-3,9-dihydro-2H-cyclohepta[b][1,4]benzothiazine (PubChem CID 123776014) has the molecular formula C15H17NS and a molecular weight of 243.37 g/mol. Its IUPAC name is 11-ethyl-3,9-dihydro-2H-cyclohepta[b][1,4]benzothiazine.

Molecular Properties

Compound Name11-ethyl-3,9-dihydro-2H-cyclohepta[b][1,4]benzothiazine
PubChem CID123776014
Molecular FormulaC15H17NS
Molecular Weight243.37 g/mol
Exact Mass243.11
IUPAC Name11-ethyl-3,9-dihydro-2H-cyclohepta[b][1,4]benzothiazine
SMILESCCN1C2=CCC=CC=C2SC2=CCCC=C21
InChIInChI=1S/C15H17NS/c1-2-16-12-8-4-3-5-10-14(12)17-15-11-7-6-9-13(15)16/h3,5,8-11H,2,4,6-7H2,1H3
InChIKeyMEDYAVPRDWMVSF-UHFFFAOYSA-N
XLogP4.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-ethyl-3,9-dihydro-2H-cyclohepta[b][1,4]benzothiazine?
The IUPAC name of 11-ethyl-3,9-dihydro-2H-cyclohepta[b][1,4]benzothiazine (CID 123776014) is 11-ethyl-3,9-dihydro-2H-cyclohepta[b][1,4]benzothiazine.
What is the SMILES notation for 11-ethyl-3,9-dihydro-2H-cyclohepta[b][1,4]benzothiazine?
The canonical SMILES for 11-ethyl-3,9-dihydro-2H-cyclohepta[b][1,4]benzothiazine is CCN1C2=CCC=CC=C2SC2=CCCC=C21.
What is the InChIKey of 11-ethyl-3,9-dihydro-2H-cyclohepta[b][1,4]benzothiazine?
The InChIKey is MEDYAVPRDWMVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c1-2-16-12-8-4-3-5-10-14(12)17-15-11-7-6-9-13(15)16/h3,5,8-11H,2,4,6-7H2,1H3.
What are the key properties of 11-ethyl-3,9-dihydro-2H-cyclohepta[b][1,4]benzothiazine?
11-ethyl-3,9-dihydro-2H-cyclohepta[b][1,4]benzothiazine has a molecular weight of 243.37 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethyl-3,9-dihydro-2H-cyclohepta[b][1,4]benzothiazine is sourced from PubChem (CID 123776014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).