8-(2-methylsulfinylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

C23H17NOS — CID 153305764

IUPAC8-(2-methylsulfinylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
SMILESCS(=O)c1ccccc1N1c2ccccc2-c2cccc3cccc1c23
InChIInChI=1S/C23H17NOS/c1-26(25)22-15-5-4-13-20(22)24-19-12-3-2-10-17(19)18-11-6-8-16-9-7-14-21(24)23(16)18/h2-15H,1H3
InChIKeyIUGKTQNFZHNDHG-UHFFFAOYSA-N
MW355.46 g/mol
LogP6.03
Rot. Bonds2

About 8-(2-methylsulfinylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

8-(2-methylsulfinylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (PubChem CID 153305764) has the molecular formula C23H17NOS and a molecular weight of 355.46 g/mol. Its IUPAC name is 8-(2-methylsulfinylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.

Molecular Properties

Compound Name8-(2-methylsulfinylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
PubChem CID153305764
Molecular FormulaC23H17NOS
Molecular Weight355.46 g/mol
Exact Mass355.10
IUPAC Name8-(2-methylsulfinylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
SMILESCS(=O)c1ccccc1N1c2ccccc2-c2cccc3cccc1c23
InChIInChI=1S/C23H17NOS/c1-26(25)22-15-5-4-13-20(22)24-19-12-3-2-10-17(19)18-11-6-8-16-9-7-14-21(24)23(16)18/h2-15H,1H3
InChIKeyIUGKTQNFZHNDHG-UHFFFAOYSA-N
XLogP6.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.46
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-(2-methylsulfinylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(2-methylsulfinylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The IUPAC name of 8-(2-methylsulfinylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (CID 153305764) is 8-(2-methylsulfinylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.
What is the SMILES notation for 8-(2-methylsulfinylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The canonical SMILES for 8-(2-methylsulfinylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is CS(=O)c1ccccc1N1c2ccccc2-c2cccc3cccc1c23.
What is the InChIKey of 8-(2-methylsulfinylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The InChIKey is IUGKTQNFZHNDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NOS/c1-26(25)22-15-5-4-13-20(22)24-19-12-3-2-10-17(19)18-11-6-8-16-9-7-14-21(24)23(16)18/h2-15H,1H3.
What are the key properties of 8-(2-methylsulfinylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
8-(2-methylsulfinylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene has a molecular weight of 355.46 g/mol, XLogP of 6.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylsulfinylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is sourced from PubChem (CID 153305764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).