10,12-dihydrobenzo[b][1,6]benzothiazocin-11-one

C14H11NOS — CID 13112891

IUPAC10,12-dihydrobenzo[b][1,6]benzothiazocin-11-one
SMILESO=C1Cc2ccccc2Sc2ccccc2N1
InChIInChI=1S/C14H11NOS/c16-14-9-10-5-1-3-7-12(10)17-13-8-4-2-6-11(13)15-14/h1-8H,9H2,(H,15,16)
InChIKeyMHYRSZQOSSCDDT-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.33
Rot. Bonds

About 10,12-dihydrobenzo[b][1,6]benzothiazocin-11-one

10,12-dihydrobenzo[b][1,6]benzothiazocin-11-one (PubChem CID 13112891) has the molecular formula C14H11NOS and a molecular weight of 241.32 g/mol. Its IUPAC name is 10,12-dihydrobenzo[b][1,6]benzothiazocin-11-one.

Molecular Properties

Compound Name10,12-dihydrobenzo[b][1,6]benzothiazocin-11-one
PubChem CID13112891
Molecular FormulaC14H11NOS
Molecular Weight241.32 g/mol
Exact Mass241.06
IUPAC Name10,12-dihydrobenzo[b][1,6]benzothiazocin-11-one
SMILESO=C1Cc2ccccc2Sc2ccccc2N1
InChIInChI=1S/C14H11NOS/c16-14-9-10-5-1-3-7-12(10)17-13-8-4-2-6-11(13)15-14/h1-8H,9H2,(H,15,16)
InChIKeyMHYRSZQOSSCDDT-UHFFFAOYSA-N
XLogP3.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 66960013
1,3-dihydroindol-2-one;ethane
CID 54350510
copper;9H-thioxanthene
CID 174315063
1,3-dihydroindol-2-one;sulfamide
CID 160648154
dioxotitanium;9H-thioxanthene
CID 174580063
ethane;10H-phenothiazine
CID 90730014
copper;10H-phenothiazine;hydrochloride
CID 70634229
bis(oxygen(2-));9H-thioxanthene;titanium(4+)
CID 158702616
acetic acid;1,3-dihydroindol-2-one
CID 158067424
1,3-dihydroindol-2-one;imidazolidin-2-one
CID 70182850
sulfamide;9H-thioxanthene
CID 174799944
boric acid;10H-phenothiazine
CID 159987394

Frequently Asked Questions

What is the IUPAC name of 10,12-dihydrobenzo[b][1,6]benzothiazocin-11-one?
The IUPAC name of 10,12-dihydrobenzo[b][1,6]benzothiazocin-11-one (CID 13112891) is 10,12-dihydrobenzo[b][1,6]benzothiazocin-11-one.
What is the SMILES notation for 10,12-dihydrobenzo[b][1,6]benzothiazocin-11-one?
The canonical SMILES for 10,12-dihydrobenzo[b][1,6]benzothiazocin-11-one is O=C1Cc2ccccc2Sc2ccccc2N1.
What is the InChIKey of 10,12-dihydrobenzo[b][1,6]benzothiazocin-11-one?
The InChIKey is MHYRSZQOSSCDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c16-14-9-10-5-1-3-7-12(10)17-13-8-4-2-6-11(13)15-14/h1-8H,9H2,(H,15,16).
What are the key properties of 10,12-dihydrobenzo[b][1,6]benzothiazocin-11-one?
10,12-dihydrobenzo[b][1,6]benzothiazocin-11-one has a molecular weight of 241.32 g/mol, XLogP of 3.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,12-dihydrobenzo[b][1,6]benzothiazocin-11-one is sourced from PubChem (CID 13112891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).