2-methylcyclopenta[f][1,2]benzothiazine

C12H9NS — CID 154119075

IUPAC2-methylcyclopenta[f][1,2]benzothiazine
SMILESCc1cc2c(ccc3cccc32)sn1
InChIInChI=1S/C12H9NS/c1-8-7-11-10-4-2-3-9(10)5-6-12(11)14-13-8/h2-7H,1H3
InChIKeyLMDIMVNIXJTHJF-UHFFFAOYSA-N
MW199.28 g/mol
LogP3.76
Rot. Bonds

About 2-methylcyclopenta[f][1,2]benzothiazine

2-methylcyclopenta[f][1,2]benzothiazine (PubChem CID 154119075) has the molecular formula C12H9NS and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-methylcyclopenta[f][1,2]benzothiazine.

Molecular Properties

Compound Name2-methylcyclopenta[f][1,2]benzothiazine
PubChem CID154119075
Molecular FormulaC12H9NS
Molecular Weight199.28 g/mol
Exact Mass199.05
IUPAC Name2-methylcyclopenta[f][1,2]benzothiazine
SMILESCc1cc2c(ccc3cccc32)sn1
InChIInChI=1S/C12H9NS/c1-8-7-11-10-4-2-3-9(10)5-6-12(11)14-13-8/h2-7H,1H3
InChIKeyLMDIMVNIXJTHJF-UHFFFAOYSA-N
XLogP3.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylcyclopenta[f][1,2]benzothiazine?
The IUPAC name of 2-methylcyclopenta[f][1,2]benzothiazine (CID 154119075) is 2-methylcyclopenta[f][1,2]benzothiazine.
What is the SMILES notation for 2-methylcyclopenta[f][1,2]benzothiazine?
The canonical SMILES for 2-methylcyclopenta[f][1,2]benzothiazine is Cc1cc2c(ccc3cccc32)sn1.
What is the InChIKey of 2-methylcyclopenta[f][1,2]benzothiazine?
The InChIKey is LMDIMVNIXJTHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NS/c1-8-7-11-10-4-2-3-9(10)5-6-12(11)14-13-8/h2-7H,1H3.
What are the key properties of 2-methylcyclopenta[f][1,2]benzothiazine?
2-methylcyclopenta[f][1,2]benzothiazine has a molecular weight of 199.28 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylcyclopenta[f][1,2]benzothiazine is sourced from PubChem (CID 154119075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).