12,14-dioxa-3-thia-7,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,8,10,15-tetraene

C11H10N2O2S — CID 118717013

IUPAC12,14-dioxa-3-thia-7,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,8,10,15-tetraene
SMILESc1c2c(cc3c4n(nc13)CCCS4)OCO2
InChIInChI=1S/C11H10N2O2S/c1-2-13-11(16-3-1)7-4-9-10(15-6-14-9)5-8(7)12-13/h4-5H,1-3,6H2
InChIKeyAYEKXMHCDUFNRO-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.26
Rot. Bonds

About 12,14-dioxa-3-thia-7,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,8,10,15-tetraene

12,14-dioxa-3-thia-7,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,8,10,15-tetraene (PubChem CID 118717013) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 12,14-dioxa-3-thia-7,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,8,10,15-tetraene.

Molecular Properties

Compound Name12,14-dioxa-3-thia-7,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,8,10,15-tetraene
PubChem CID118717013
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name12,14-dioxa-3-thia-7,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,8,10,15-tetraene
SMILESc1c2c(cc3c4n(nc13)CCCS4)OCO2
InChIInChI=1S/C11H10N2O2S/c1-2-13-11(16-3-1)7-4-9-10(15-6-14-9)5-8(7)12-13/h4-5H,1-3,6H2
InChIKeyAYEKXMHCDUFNRO-UHFFFAOYSA-N
XLogP2.26
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 12,14-dioxa-3-thia-7,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,8,10,15-tetraene 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 12,14-dioxa-3-thia-7,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,8,10,15-tetraene?
The IUPAC name of 12,14-dioxa-3-thia-7,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,8,10,15-tetraene (CID 118717013) is 12,14-dioxa-3-thia-7,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,8,10,15-tetraene.
What is the SMILES notation for 12,14-dioxa-3-thia-7,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,8,10,15-tetraene?
The canonical SMILES for 12,14-dioxa-3-thia-7,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,8,10,15-tetraene is c1c2c(cc3c4n(nc13)CCCS4)OCO2.
What is the InChIKey of 12,14-dioxa-3-thia-7,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,8,10,15-tetraene?
The InChIKey is AYEKXMHCDUFNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-2-13-11(16-3-1)7-4-9-10(15-6-14-9)5-8(7)12-13/h4-5H,1-3,6H2.
What are the key properties of 12,14-dioxa-3-thia-7,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,8,10,15-tetraene?
12,14-dioxa-3-thia-7,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,8,10,15-tetraene has a molecular weight of 234.28 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12,14-dioxa-3-thia-7,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,8,10,15-tetraene is sourced from PubChem (CID 118717013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).