10-methyl-4-thia-10-azatricyclo[11.4.0.03,7]heptadeca-1(17),3(7),5,13,15-pentaene

C16H19NS — CID 122205437

IUPAC10-methyl-4-thia-10-azatricyclo[11.4.0.03,7]heptadeca-1(17),3(7),5,13,15-pentaene
SMILESCN1CCc2ccccc2Cc2sccc2CC1
InChIInChI=1S/C16H19NS/c1-17-9-6-13-4-2-3-5-15(13)12-16-14(7-10-17)8-11-18-16/h2-5,8,11H,6-7,9-10,12H2,1H3
InChIKeyKOZDJSANCQUJOB-UHFFFAOYSA-N
MW257.40 g/mol
LogP3.37
Rot. Bonds

About 10-methyl-4-thia-10-azatricyclo[11.4.0.03,7]heptadeca-1(17),3(7),5,13,15-pentaene

10-methyl-4-thia-10-azatricyclo[11.4.0.03,7]heptadeca-1(17),3(7),5,13,15-pentaene (PubChem CID 122205437) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is 10-methyl-4-thia-10-azatricyclo[11.4.0.03,7]heptadeca-1(17),3(7),5,13,15-pentaene.

Molecular Properties

Compound Name10-methyl-4-thia-10-azatricyclo[11.4.0.03,7]heptadeca-1(17),3(7),5,13,15-pentaene
PubChem CID122205437
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name10-methyl-4-thia-10-azatricyclo[11.4.0.03,7]heptadeca-1(17),3(7),5,13,15-pentaene
SMILESCN1CCc2ccccc2Cc2sccc2CC1
InChIInChI=1S/C16H19NS/c1-17-9-6-13-4-2-3-5-15(13)12-16-14(7-10-17)8-11-18-16/h2-5,8,11H,6-7,9-10,12H2,1H3
InChIKeyKOZDJSANCQUJOB-UHFFFAOYSA-N
XLogP3.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10-methyl-4-thia-10-azatricyclo[11.4.0.03,7]heptadeca-1(17),3(7),5,13,15-pentaene with MolForge

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Related Compounds

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((R)-5-Fluoro-8-thiophen-2-yl-1,2,3,4-tetrahydro-naphthalen-2-yl)-dipropyl-amine
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10-Methyl-6-thia-10-azatricyclo[11.4.0.03,7]heptadeca-1(17),3(7),4,13,15-pentaene
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Frequently Asked Questions

What is the IUPAC name of 10-methyl-4-thia-10-azatricyclo[11.4.0.03,7]heptadeca-1(17),3(7),5,13,15-pentaene?
The IUPAC name of 10-methyl-4-thia-10-azatricyclo[11.4.0.03,7]heptadeca-1(17),3(7),5,13,15-pentaene (CID 122205437) is 10-methyl-4-thia-10-azatricyclo[11.4.0.03,7]heptadeca-1(17),3(7),5,13,15-pentaene.
What is the SMILES notation for 10-methyl-4-thia-10-azatricyclo[11.4.0.03,7]heptadeca-1(17),3(7),5,13,15-pentaene?
The canonical SMILES for 10-methyl-4-thia-10-azatricyclo[11.4.0.03,7]heptadeca-1(17),3(7),5,13,15-pentaene is CN1CCc2ccccc2Cc2sccc2CC1.
What is the InChIKey of 10-methyl-4-thia-10-azatricyclo[11.4.0.03,7]heptadeca-1(17),3(7),5,13,15-pentaene?
The InChIKey is KOZDJSANCQUJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-17-9-6-13-4-2-3-5-15(13)12-16-14(7-10-17)8-11-18-16/h2-5,8,11H,6-7,9-10,12H2,1H3.
What are the key properties of 10-methyl-4-thia-10-azatricyclo[11.4.0.03,7]heptadeca-1(17),3(7),5,13,15-pentaene?
10-methyl-4-thia-10-azatricyclo[11.4.0.03,7]heptadeca-1(17),3(7),5,13,15-pentaene has a molecular weight of 257.40 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-4-thia-10-azatricyclo[11.4.0.03,7]heptadeca-1(17),3(7),5,13,15-pentaene is sourced from PubChem (CID 122205437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).