15-thia-2,7-diazatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,10(14)-trien-8-one

C12H12N2OS — CID 615939

IUPAC15-thia-2,7-diazatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,10(14)-trien-8-one
SMILESO=c1c2c3c(sc2nc2n1CCC2)CCC3
InChIInChI=1S/C12H12N2OS/c15-12-10-7-3-1-4-8(7)16-11(10)13-9-5-2-6-14(9)12/h1-6H2
InChIKeyDMPRWZNQWGPBQH-UHFFFAOYSA-N
MW232.31 g/mol
LogP1.89
Rot. Bonds

About 15-thia-2,7-diazatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,10(14)-trien-8-one

15-thia-2,7-diazatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,10(14)-trien-8-one (PubChem CID 615939) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 15-thia-2,7-diazatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,10(14)-trien-8-one.

Molecular Properties

Compound Name15-thia-2,7-diazatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,10(14)-trien-8-one
PubChem CID615939
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name15-thia-2,7-diazatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,10(14)-trien-8-one
SMILESO=c1c2c3c(sc2nc2n1CCC2)CCC3
InChIInChI=1S/C12H12N2OS/c15-12-10-7-3-1-4-8(7)16-11(10)13-9-5-2-6-14(9)12/h1-6H2
InChIKeyDMPRWZNQWGPBQH-UHFFFAOYSA-N
XLogP1.89
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 15-thia-2,7-diazatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,10(14)-trien-8-one?
The IUPAC name of 15-thia-2,7-diazatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,10(14)-trien-8-one (CID 615939) is 15-thia-2,7-diazatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,10(14)-trien-8-one.
What is the SMILES notation for 15-thia-2,7-diazatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,10(14)-trien-8-one?
The canonical SMILES for 15-thia-2,7-diazatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,10(14)-trien-8-one is O=c1c2c3c(sc2nc2n1CCC2)CCC3.
What is the InChIKey of 15-thia-2,7-diazatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,10(14)-trien-8-one?
The InChIKey is DMPRWZNQWGPBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c15-12-10-7-3-1-4-8(7)16-11(10)13-9-5-2-6-14(9)12/h1-6H2.
What are the key properties of 15-thia-2,7-diazatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,10(14)-trien-8-one?
15-thia-2,7-diazatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,10(14)-trien-8-one has a molecular weight of 232.31 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-thia-2,7-diazatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,10(14)-trien-8-one is sourced from PubChem (CID 615939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).