10-thia-2-azatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),7(11),8,13,15-pentaene

C15H15NS — CID 15506422

IUPAC10-thia-2-azatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),7(11),8,13,15-pentaene
SMILESc1ccc2c(c1)Cc1sccc1C1CCCN21
InChIInChI=1S/C15H15NS/c1-2-5-13-11(4-1)10-15-12(7-9-17-15)14-6-3-8-16(13)14/h1-2,4-5,7,9,14H,3,6,8,10H2
InChIKeyYJIVRKKDGWOISF-UHFFFAOYSA-N
MW241.36 g/mol
LogP3.99
Rot. Bonds

About 10-thia-2-azatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),7(11),8,13,15-pentaene

10-thia-2-azatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),7(11),8,13,15-pentaene (PubChem CID 15506422) has the molecular formula C15H15NS and a molecular weight of 241.36 g/mol. Its IUPAC name is 10-thia-2-azatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),7(11),8,13,15-pentaene.

Molecular Properties

Compound Name10-thia-2-azatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),7(11),8,13,15-pentaene
PubChem CID15506422
Molecular FormulaC15H15NS
Molecular Weight241.36 g/mol
Exact Mass241.09
IUPAC Name10-thia-2-azatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),7(11),8,13,15-pentaene
SMILESc1ccc2c(c1)Cc1sccc1C1CCCN21
InChIInChI=1S/C15H15NS/c1-2-5-13-11(4-1)10-15-12(7-9-17-15)14-6-3-8-16(13)14/h1-2,4-5,7,9,14H,3,6,8,10H2
InChIKeyYJIVRKKDGWOISF-UHFFFAOYSA-N
XLogP3.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-thia-2-azatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),7(11),8,13,15-pentaene?
The IUPAC name of 10-thia-2-azatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),7(11),8,13,15-pentaene (CID 15506422) is 10-thia-2-azatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),7(11),8,13,15-pentaene.
What is the SMILES notation for 10-thia-2-azatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),7(11),8,13,15-pentaene?
The canonical SMILES for 10-thia-2-azatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),7(11),8,13,15-pentaene is c1ccc2c(c1)Cc1sccc1C1CCCN21.
What is the InChIKey of 10-thia-2-azatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),7(11),8,13,15-pentaene?
The InChIKey is YJIVRKKDGWOISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NS/c1-2-5-13-11(4-1)10-15-12(7-9-17-15)14-6-3-8-16(13)14/h1-2,4-5,7,9,14H,3,6,8,10H2.
What are the key properties of 10-thia-2-azatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),7(11),8,13,15-pentaene?
10-thia-2-azatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),7(11),8,13,15-pentaene has a molecular weight of 241.36 g/mol, XLogP of 3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-thia-2-azatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),7(11),8,13,15-pentaene is sourced from PubChem (CID 15506422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).