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

C12H14N2S — CID 83085614

IUPAC10-cyclopropyl-11-methyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene
SMILESCc1c(C2CC2)nc2sc3c(n12)CCC3
InChIInChI=1S/C12H14N2S/c1-7-11(8-5-6-8)13-12-14(7)9-3-2-4-10(9)15-12/h8H,2-6H2,1H3
InChIKeyYQELKOASTKLNLM-UHFFFAOYSA-N
MW218.32 g/mol
LogP3.07
Rot. Bonds1

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

10-cyclopropyl-11-methyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene (PubChem CID 83085614) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 10-cyclopropyl-11-methyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene.

Molecular Properties

Compound Name10-cyclopropyl-11-methyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene
PubChem CID83085614
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC Name10-cyclopropyl-11-methyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene
SMILESCc1c(C2CC2)nc2sc3c(n12)CCC3
InChIInChI=1S/C12H14N2S/c1-7-11(8-5-6-8)13-12-14(7)9-3-2-4-10(9)15-12/h8H,2-6H2,1H3
InChIKeyYQELKOASTKLNLM-UHFFFAOYSA-N
XLogP3.07
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-cyclopropyl-11-methyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene?
The IUPAC name of 10-cyclopropyl-11-methyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene (CID 83085614) is 10-cyclopropyl-11-methyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene.
What is the SMILES notation for 10-cyclopropyl-11-methyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene?
The canonical SMILES for 10-cyclopropyl-11-methyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene is Cc1c(C2CC2)nc2sc3c(n12)CCC3.
What is the InChIKey of 10-cyclopropyl-11-methyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene?
The InChIKey is YQELKOASTKLNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-7-11(8-5-6-8)13-12-14(7)9-3-2-4-10(9)15-12/h8H,2-6H2,1H3.
What are the key properties of 10-cyclopropyl-11-methyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene?
10-cyclopropyl-11-methyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene has a molecular weight of 218.32 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cyclopropyl-11-methyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene is sourced from PubChem (CID 83085614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).