11-methyl-5H-indolo[2,3-b][1,5]benzothiazepin-12-one

C16H12N2OS — CID 15651166

IUPAC11-methyl-5H-indolo[2,3-b][1,5]benzothiazepin-12-one
SMILESCN1C(=O)c2c([nH]c3ccccc23)Sc2ccccc21
InChIInChI=1S/C16H12N2OS/c1-18-12-8-4-5-9-13(12)20-15-14(16(18)19)10-6-2-3-7-11(10)17-15/h2-9,17H,1H3
InChIKeyIDECOSAJEYSJMB-UHFFFAOYSA-N
MW280.35 g/mol
LogP3.91
Rot. Bonds

About 11-methyl-5H-indolo[2,3-b][1,5]benzothiazepin-12-one

11-methyl-5H-indolo[2,3-b][1,5]benzothiazepin-12-one (PubChem CID 15651166) has the molecular formula C16H12N2OS and a molecular weight of 280.35 g/mol. Its IUPAC name is 11-methyl-5H-indolo[2,3-b][1,5]benzothiazepin-12-one.

Molecular Properties

Compound Name11-methyl-5H-indolo[2,3-b][1,5]benzothiazepin-12-one
PubChem CID15651166
Molecular FormulaC16H12N2OS
Molecular Weight280.35 g/mol
Exact Mass280.07
IUPAC Name11-methyl-5H-indolo[2,3-b][1,5]benzothiazepin-12-one
SMILESCN1C(=O)c2c([nH]c3ccccc23)Sc2ccccc21
InChIInChI=1S/C16H12N2OS/c1-18-12-8-4-5-9-13(12)20-15-14(16(18)19)10-6-2-3-7-11(10)17-15/h2-9,17H,1H3
InChIKeyIDECOSAJEYSJMB-UHFFFAOYSA-N
XLogP3.91
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-5H-indolo[2,3-b][1,5]benzothiazepin-12-one?
The IUPAC name of 11-methyl-5H-indolo[2,3-b][1,5]benzothiazepin-12-one (CID 15651166) is 11-methyl-5H-indolo[2,3-b][1,5]benzothiazepin-12-one.
What is the SMILES notation for 11-methyl-5H-indolo[2,3-b][1,5]benzothiazepin-12-one?
The canonical SMILES for 11-methyl-5H-indolo[2,3-b][1,5]benzothiazepin-12-one is CN1C(=O)c2c([nH]c3ccccc23)Sc2ccccc21.
What is the InChIKey of 11-methyl-5H-indolo[2,3-b][1,5]benzothiazepin-12-one?
The InChIKey is IDECOSAJEYSJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2OS/c1-18-12-8-4-5-9-13(12)20-15-14(16(18)19)10-6-2-3-7-11(10)17-15/h2-9,17H,1H3.
What are the key properties of 11-methyl-5H-indolo[2,3-b][1,5]benzothiazepin-12-one?
11-methyl-5H-indolo[2,3-b][1,5]benzothiazepin-12-one has a molecular weight of 280.35 g/mol, XLogP of 3.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-5H-indolo[2,3-b][1,5]benzothiazepin-12-one is sourced from PubChem (CID 15651166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).