14lambda6,17-dithia-11,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),8,15-tetraene 14,14-dioxide

C13H14N2O2S2 — CID 722169

IUPAC14lambda6,17-dithia-11,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),8,15-tetraene 14,14-dioxide
SMILESO=S1(=O)CCN2C(=N1)Sc1c2ccc2c1CCCC2
InChIInChI=1S/C13H14N2O2S2/c16-19(17)8-7-15-11-6-5-9-3-1-2-4-10(9)12(11)18-13(15)14-19/h5-6H,1-4,7-8H2
InChIKeyBAAXAELLQUJESK-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.18
Rot. Bonds

About 14lambda6,17-dithia-11,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),8,15-tetraene 14,14-dioxide

14lambda6,17-dithia-11,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),8,15-tetraene 14,14-dioxide (PubChem CID 722169) has the molecular formula C13H14N2O2S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 14lambda6,17-dithia-11,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),8,15-tetraene 14,14-dioxide.

Molecular Properties

Compound Name14lambda6,17-dithia-11,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),8,15-tetraene 14,14-dioxide
PubChem CID722169
Molecular FormulaC13H14N2O2S2
Molecular Weight294.40 g/mol
Exact Mass294.05
IUPAC Name14lambda6,17-dithia-11,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),8,15-tetraene 14,14-dioxide
SMILESO=S1(=O)CCN2C(=N1)Sc1c2ccc2c1CCCC2
InChIInChI=1S/C13H14N2O2S2/c16-19(17)8-7-15-11-6-5-9-3-1-2-4-10(9)12(11)18-13(15)14-19/h5-6H,1-4,7-8H2
InChIKeyBAAXAELLQUJESK-UHFFFAOYSA-N
XLogP2.18
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 14lambda6,17-dithia-11,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),8,15-tetraene 14,14-dioxide?
The IUPAC name of 14lambda6,17-dithia-11,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),8,15-tetraene 14,14-dioxide (CID 722169) is 14lambda6,17-dithia-11,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),8,15-tetraene 14,14-dioxide.
What is the SMILES notation for 14lambda6,17-dithia-11,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),8,15-tetraene 14,14-dioxide?
The canonical SMILES for 14lambda6,17-dithia-11,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),8,15-tetraene 14,14-dioxide is O=S1(=O)CCN2C(=N1)Sc1c2ccc2c1CCCC2.
What is the InChIKey of 14lambda6,17-dithia-11,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),8,15-tetraene 14,14-dioxide?
The InChIKey is BAAXAELLQUJESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S2/c16-19(17)8-7-15-11-6-5-9-3-1-2-4-10(9)12(11)18-13(15)14-19/h5-6H,1-4,7-8H2.
What are the key properties of 14lambda6,17-dithia-11,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),8,15-tetraene 14,14-dioxide?
14lambda6,17-dithia-11,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),8,15-tetraene 14,14-dioxide has a molecular weight of 294.40 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14lambda6,17-dithia-11,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),8,15-tetraene 14,14-dioxide is sourced from PubChem (CID 722169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).