10λ6-thia-16,17-diazatricyclo[10.3.1.14,8]heptadeca-1(16),4(17),5,7,12,14-hexaene 10,10-dioxide

C14H14N2O2S — CID 12670821

IUPAC10λ6-thia-16,17-diazatricyclo[10.3.1.14,8]heptadeca-1(16),4(17),5,7,12,14-hexaene 10,10-dioxide
SMILESO=S1(=O)Cc2cccc(n2)CCc2cccc(n2)C1
InChIInChI=1S/C14H14N2O2S/c17-19(18)9-13-5-1-3-11(15-13)7-8-12-4-2-6-14(10-19)16-12/h1-6H,7-10H2
InChIKeyPQDFAGQQKNXEHL-UHFFFAOYSA-N
MW274.34 g/mol
LogP1.69
Rot. Bonds

About 10λ6-thia-16,17-diazatricyclo[10.3.1.14,8]heptadeca-1(16),4(17),5,7,12,14-hexaene 10,10-dioxide

10λ6-thia-16,17-diazatricyclo[10.3.1.14,8]heptadeca-1(16),4(17),5,7,12,14-hexaene 10,10-dioxide (PubChem CID 12670821) has the molecular formula C14H14N2O2S and a molecular weight of 274.34 g/mol. Its IUPAC name is 10λ6-thia-16,17-diazatricyclo[10.3.1.14,8]heptadeca-1(16),4(17),5,7,12,14-hexaene 10,10-dioxide.

Molecular Properties

Compound Name10λ6-thia-16,17-diazatricyclo[10.3.1.14,8]heptadeca-1(16),4(17),5,7,12,14-hexaene 10,10-dioxide
PubChem CID12670821
Molecular FormulaC14H14N2O2S
Molecular Weight274.34 g/mol
Exact Mass274.08
IUPAC Name10λ6-thia-16,17-diazatricyclo[10.3.1.14,8]heptadeca-1(16),4(17),5,7,12,14-hexaene 10,10-dioxide
SMILESO=S1(=O)Cc2cccc(n2)CCc2cccc(n2)C1
InChIInChI=1S/C14H14N2O2S/c17-19(18)9-13-5-1-3-11(15-13)7-8-12-4-2-6-14(10-19)16-12/h1-6H,7-10H2
InChIKeyPQDFAGQQKNXEHL-UHFFFAOYSA-N
XLogP1.69
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10λ6-thia-16,17-diazatricyclo[10.3.1.14,8]heptadeca-1(16),4(17),5,7,12,14-hexaene 10,10-dioxide with MolForge

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Related Compounds

2-[3-(1-Ethylsulfonylpiperidin-4-ylidene)prop-1-ynyl]-6-methylpyridine
CID 57574933
2-bromo-6-[(E)-2-[[(E)-2-(6-bromo-2-pyridyl)vinyl]sulfonylmethylsulfonyl]vinyl]pyridine
CID 16077313
4-(2-Pyridinylmethyl)-1lambda~6~,4-thiazinane-1,1-dione
CID 318461
2-Methyl-6-(3-(phenylsulfinyl)prop-1-ynyl)pyridine
CID 44415982
2,6-Bis(methylthiomethyl)pyridine
CID 428020
2,6-Bis(ethylthiomethyl)pyridine
CID 15911202
2-(Allylsulfonyl)-6-methylpyridine
CID 164185579
[Methyl-oxo-[1-[6-(trifluoromethyl)-2-pyridinyl]ethyl]-lambda6-sulfanylidene]cyanamide
CID 138969678
2-Methyl-6-((phenylthio)methyl)pyridine
CID 15478590
3,12-Dithia-18-azabicyclo(12.3.1)octadeca-1(18),14,16-triene
CID 313468
5H,17H-6,10:18,22-Diepiazenobis[1,3]dithiolo[4,5-b:4',5'-m][1,4,12,15]tetrathiacyclodocosine-2,14-dithione
CID 380598
4-(2-Pyridin-2-ylethyl)-1,4-thiazinane 1,1-dioxide
CID 1479939

Frequently Asked Questions

What is the IUPAC name of 10λ6-thia-16,17-diazatricyclo[10.3.1.14,8]heptadeca-1(16),4(17),5,7,12,14-hexaene 10,10-dioxide?
The IUPAC name of 10λ6-thia-16,17-diazatricyclo[10.3.1.14,8]heptadeca-1(16),4(17),5,7,12,14-hexaene 10,10-dioxide (CID 12670821) is 10λ6-thia-16,17-diazatricyclo[10.3.1.14,8]heptadeca-1(16),4(17),5,7,12,14-hexaene 10,10-dioxide.
What is the SMILES notation for 10λ6-thia-16,17-diazatricyclo[10.3.1.14,8]heptadeca-1(16),4(17),5,7,12,14-hexaene 10,10-dioxide?
The canonical SMILES for 10λ6-thia-16,17-diazatricyclo[10.3.1.14,8]heptadeca-1(16),4(17),5,7,12,14-hexaene 10,10-dioxide is O=S1(=O)Cc2cccc(n2)CCc2cccc(n2)C1.
What is the InChIKey of 10λ6-thia-16,17-diazatricyclo[10.3.1.14,8]heptadeca-1(16),4(17),5,7,12,14-hexaene 10,10-dioxide?
The InChIKey is PQDFAGQQKNXEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c17-19(18)9-13-5-1-3-11(15-13)7-8-12-4-2-6-14(10-19)16-12/h1-6H,7-10H2.
What are the key properties of 10λ6-thia-16,17-diazatricyclo[10.3.1.14,8]heptadeca-1(16),4(17),5,7,12,14-hexaene 10,10-dioxide?
10λ6-thia-16,17-diazatricyclo[10.3.1.14,8]heptadeca-1(16),4(17),5,7,12,14-hexaene 10,10-dioxide has a molecular weight of 274.34 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10λ6-thia-16,17-diazatricyclo[10.3.1.14,8]heptadeca-1(16),4(17),5,7,12,14-hexaene 10,10-dioxide is sourced from PubChem (CID 12670821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).