11-methyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene

C9H10N2S — CID 83086225

IUPAC11-methyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene
SMILESCc1cnc2sc3c(n12)CCC3
InChIInChI=1S/C9H10N2S/c1-6-5-10-9-11(6)7-3-2-4-8(7)12-9/h5H,2-4H2,1H3
InChIKeyCYDRJOBLERMXAS-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.19
Rot. Bonds

About 11-methyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene

11-methyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene (PubChem CID 83086225) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 11-methyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene.

Molecular Properties

Compound Name11-methyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene
PubChem CID83086225
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name11-methyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene
SMILESCc1cnc2sc3c(n12)CCC3
InChIInChI=1S/C9H10N2S/c1-6-5-10-9-11(6)7-3-2-4-8(7)12-9/h5H,2-4H2,1H3
InChIKeyCYDRJOBLERMXAS-UHFFFAOYSA-N
XLogP2.19
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene?
The IUPAC name of 11-methyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene (CID 83086225) is 11-methyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene.
What is the SMILES notation for 11-methyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene?
The canonical SMILES for 11-methyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene is Cc1cnc2sc3c(n12)CCC3.
What is the InChIKey of 11-methyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene?
The InChIKey is CYDRJOBLERMXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c1-6-5-10-9-11(6)7-3-2-4-8(7)12-9/h5H,2-4H2,1H3.
What are the key properties of 11-methyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene?
11-methyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene has a molecular weight of 178.26 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene is sourced from PubChem (CID 83086225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).