6-methylbenzo[d][1,2]benzothiazepin-7-one

C14H11NOS — CID 15268376

IUPAC6-methylbenzo[d][1,2]benzothiazepin-7-one
SMILESCN1Sc2ccccc2-c2ccccc2C1=O
InChIInChI=1S/C14H11NOS/c1-15-14(16)12-8-3-2-6-10(12)11-7-4-5-9-13(11)17-15/h2-9H,1H3
InChIKeyQROUYSOLOXWBOC-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.45
Rot. Bonds

About 6-methylbenzo[d][1,2]benzothiazepin-7-one

6-methylbenzo[d][1,2]benzothiazepin-7-one (PubChem CID 15268376) has the molecular formula C14H11NOS and a molecular weight of 241.32 g/mol. Its IUPAC name is 6-methylbenzo[d][1,2]benzothiazepin-7-one.

Molecular Properties

Compound Name6-methylbenzo[d][1,2]benzothiazepin-7-one
PubChem CID15268376
Molecular FormulaC14H11NOS
Molecular Weight241.32 g/mol
Exact Mass241.06
IUPAC Name6-methylbenzo[d][1,2]benzothiazepin-7-one
SMILESCN1Sc2ccccc2-c2ccccc2C1=O
InChIInChI=1S/C14H11NOS/c1-15-14(16)12-8-3-2-6-10(12)11-7-4-5-9-13(11)17-15/h2-9H,1H3
InChIKeyQROUYSOLOXWBOC-UHFFFAOYSA-N
XLogP3.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1,2-dihydropyrazolo[4,3-c][1,2]benzothiazin-3-one
CID 123312757
CID 58970820
CID 58970820
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
5,11-dimethoxybenzo[c][1,5]benzodiazocine-6,12-dione
CID 102006402
3-(6-chloro-2-pyridinyl)-5-methyl-[1,3]oxazino[5,6-c][1,2]benzothiazine-2,4-dione
CID 57226618
3-methyl-2-phenyl-3H-1,2-benzothiazin-4-one
CID 172558194
2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl]isoindole-1,3-dione
CID 166009337
biphenylene;propan-2-one
CID 174440223
2-[2-[6,11-dihydrobenzo[c][1]benzothiepin-11-yl(methyl)amino]ethyl]isoindole-1,3-dione
CID 50852425
hydron;2-propylisoindole-1,3-dione
CID 174827386
2-hydroxyisoindole-1,3-dione
CID 66775726
CID 58635188
CID 58635188

Frequently Asked Questions

What is the IUPAC name of 6-methylbenzo[d][1,2]benzothiazepin-7-one?
The IUPAC name of 6-methylbenzo[d][1,2]benzothiazepin-7-one (CID 15268376) is 6-methylbenzo[d][1,2]benzothiazepin-7-one.
What is the SMILES notation for 6-methylbenzo[d][1,2]benzothiazepin-7-one?
The canonical SMILES for 6-methylbenzo[d][1,2]benzothiazepin-7-one is CN1Sc2ccccc2-c2ccccc2C1=O.
What is the InChIKey of 6-methylbenzo[d][1,2]benzothiazepin-7-one?
The InChIKey is QROUYSOLOXWBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c1-15-14(16)12-8-3-2-6-10(12)11-7-4-5-9-13(11)17-15/h2-9H,1H3.
What are the key properties of 6-methylbenzo[d][1,2]benzothiazepin-7-one?
6-methylbenzo[d][1,2]benzothiazepin-7-one has a molecular weight of 241.32 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 6-methylbenzo[d][1,2]benzothiazepin-7-one is sourced from PubChem (CID 15268376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).