6-methylsulfanyl-11H-pyrido[2,3-b][1,4]benzodiazepine

C13H11N3S — CID 16824016

IUPAC6-methylsulfanyl-11H-pyrido[2,3-b][1,4]benzodiazepine
SMILESCSC1=Nc2cccnc2Nc2ccccc21
InChIInChI=1S/C13H11N3S/c1-17-13-9-5-2-3-6-10(9)15-12-11(16-13)7-4-8-14-12/h2-8H,1H3,(H,14,15)
InChIKeyLDMLJVUAYJUVNR-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.58
Rot. Bonds

About 6-methylsulfanyl-11H-pyrido[2,3-b][1,4]benzodiazepine

6-methylsulfanyl-11H-pyrido[2,3-b][1,4]benzodiazepine (PubChem CID 16824016) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is 6-methylsulfanyl-11H-pyrido[2,3-b][1,4]benzodiazepine.

Molecular Properties

Compound Name6-methylsulfanyl-11H-pyrido[2,3-b][1,4]benzodiazepine
PubChem CID16824016
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name6-methylsulfanyl-11H-pyrido[2,3-b][1,4]benzodiazepine
SMILESCSC1=Nc2cccnc2Nc2ccccc21
InChIInChI=1S/C13H11N3S/c1-17-13-9-5-2-3-6-10(9)15-12-11(16-13)7-4-8-14-12/h2-8H,1H3,(H,14,15)
InChIKeyLDMLJVUAYJUVNR-UHFFFAOYSA-N
XLogP3.58
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-11H-pyrido[2,3-b][1,4]benzodiazepine?
The IUPAC name of 6-methylsulfanyl-11H-pyrido[2,3-b][1,4]benzodiazepine (CID 16824016) is 6-methylsulfanyl-11H-pyrido[2,3-b][1,4]benzodiazepine.
What is the SMILES notation for 6-methylsulfanyl-11H-pyrido[2,3-b][1,4]benzodiazepine?
The canonical SMILES for 6-methylsulfanyl-11H-pyrido[2,3-b][1,4]benzodiazepine is CSC1=Nc2cccnc2Nc2ccccc21.
What is the InChIKey of 6-methylsulfanyl-11H-pyrido[2,3-b][1,4]benzodiazepine?
The InChIKey is LDMLJVUAYJUVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c1-17-13-9-5-2-3-6-10(9)15-12-11(16-13)7-4-8-14-12/h2-8H,1H3,(H,14,15).
What are the key properties of 6-methylsulfanyl-11H-pyrido[2,3-b][1,4]benzodiazepine?
6-methylsulfanyl-11H-pyrido[2,3-b][1,4]benzodiazepine has a molecular weight of 241.32 g/mol, XLogP of 3.58, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-11H-pyrido[2,3-b][1,4]benzodiazepine is sourced from PubChem (CID 16824016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).