(1R,10R)-10-methyl-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),14-pentaen-15-olate

C14H12NO2S2- — CID 8010391

IUPAC(1R,10R)-10-methyl-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),14-pentaen-15-olate
SMILESC[C@]12COc3ccccc3[C@H]1c1sc([O-])nc1SC2
InChIInChI=1S/C14H13NO2S2/c1-14-6-17-9-5-3-2-4-8(9)10(14)11-12(18-7-14)15-13(16)19-11/h2-5,10H,6-7H2,1H3,(H,15,16)/p-1/t10-,14+/m0/s1
InChIKeyDPZASWAPDSYRFK-IINYFYTJSA-M
MW290.39 g/mol
LogP2.85
Rot. Bonds

About (1R,10R)-10-methyl-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),14-pentaen-15-olate

(1R,10R)-10-methyl-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),14-pentaen-15-olate (PubChem CID 8010391) has the molecular formula C14H12NO2S2- and a molecular weight of 290.39 g/mol. Its IUPAC name is (1R,10R)-10-methyl-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),14-pentaen-15-olate.

Molecular Properties

Compound Name(1R,10R)-10-methyl-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),14-pentaen-15-olate
PubChem CID8010391
Molecular FormulaC14H12NO2S2-
Molecular Weight290.39 g/mol
Exact Mass290.03
IUPAC Name(1R,10R)-10-methyl-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),14-pentaen-15-olate
SMILESC[C@]12COc3ccccc3[C@H]1c1sc([O-])nc1SC2
InChIInChI=1S/C14H13NO2S2/c1-14-6-17-9-5-3-2-4-8(9)10(14)11-12(18-7-14)15-13(16)19-11/h2-5,10H,6-7H2,1H3,(H,15,16)/p-1/t10-,14+/m0/s1
InChIKeyDPZASWAPDSYRFK-IINYFYTJSA-M
XLogP2.85
TPSA45.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1R,10R)-10-methyl-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),14-pentaen-15-olate 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 (1R,10R)-10-methyl-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),14-pentaen-15-olate?
The IUPAC name of (1R,10R)-10-methyl-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),14-pentaen-15-olate (CID 8010391) is (1R,10R)-10-methyl-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),14-pentaen-15-olate.
What is the SMILES notation for (1R,10R)-10-methyl-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),14-pentaen-15-olate?
The canonical SMILES for (1R,10R)-10-methyl-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),14-pentaen-15-olate is C[C@]12COc3ccccc3[C@H]1c1sc([O-])nc1SC2.
What is the InChIKey of (1R,10R)-10-methyl-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),14-pentaen-15-olate?
The InChIKey is DPZASWAPDSYRFK-IINYFYTJSA-M. The full InChI is InChI=1S/C14H13NO2S2/c1-14-6-17-9-5-3-2-4-8(9)10(14)11-12(18-7-14)15-13(16)19-11/h2-5,10H,6-7H2,1H3,(H,15,16)/p-1/t10-,14+/m0/s1.
What are the key properties of (1R,10R)-10-methyl-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),14-pentaen-15-olate?
(1R,10R)-10-methyl-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),14-pentaen-15-olate has a molecular weight of 290.39 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10R)-10-methyl-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),14-pentaen-15-olate is sourced from PubChem (CID 8010391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).