cyclopenta[g][1,4]benzothiazine

C11H7NS — CID 158777512

IUPACcyclopenta[g][1,4]benzothiazine
SMILESc1cc2cc3nccsc3cc2c1
InChIInChI=1S/C11H7NS/c1-2-8-6-10-11(7-9(8)3-1)13-5-4-12-10/h1-7H
InChIKeyIQQQBSYTUULWER-UHFFFAOYSA-N
MW185.25 g/mol
LogP3.45
Rot. Bonds

About cyclopenta[g][1,4]benzothiazine

cyclopenta[g][1,4]benzothiazine (PubChem CID 158777512) has the molecular formula C11H7NS and a molecular weight of 185.25 g/mol. Its IUPAC name is cyclopenta[g][1,4]benzothiazine.

Molecular Properties

Compound Namecyclopenta[g][1,4]benzothiazine
PubChem CID158777512
Molecular FormulaC11H7NS
Molecular Weight185.25 g/mol
Exact Mass185.03
IUPAC Namecyclopenta[g][1,4]benzothiazine
SMILESc1cc2cc3nccsc3cc2c1
InChIInChI=1S/C11H7NS/c1-2-8-6-10-11(7-9(8)3-1)13-5-4-12-10/h1-7H
InChIKeyIQQQBSYTUULWER-UHFFFAOYSA-N
XLogP3.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopenta[g][1,4]benzothiazine?
The IUPAC name of cyclopenta[g][1,4]benzothiazine (CID 158777512) is cyclopenta[g][1,4]benzothiazine.
What is the SMILES notation for cyclopenta[g][1,4]benzothiazine?
The canonical SMILES for cyclopenta[g][1,4]benzothiazine is c1cc2cc3nccsc3cc2c1.
What is the InChIKey of cyclopenta[g][1,4]benzothiazine?
The InChIKey is IQQQBSYTUULWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NS/c1-2-8-6-10-11(7-9(8)3-1)13-5-4-12-10/h1-7H.
What are the key properties of cyclopenta[g][1,4]benzothiazine?
cyclopenta[g][1,4]benzothiazine has a molecular weight of 185.25 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta[g][1,4]benzothiazine is sourced from PubChem (CID 158777512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).