7-(cyclohexylmethyl)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-2,4,10-triene

C15H20N2S — CID 130360616

IUPAC7-(cyclohexylmethyl)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-2,4,10-triene
SMILESC1=CC2c3cncn3C(CC3CCCCC3)C2S1
InChIInChI=1S/C15H20N2S/c1-2-4-11(5-3-1)8-13-15-12(6-7-18-15)14-9-16-10-17(13)14/h6-7,9-13,15H,1-5,8H2
InChIKeyQMXAZSOSODDBPF-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.12
Rot. Bonds2

About 7-(cyclohexylmethyl)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-2,4,10-triene

7-(cyclohexylmethyl)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-2,4,10-triene (PubChem CID 130360616) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 7-(cyclohexylmethyl)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-2,4,10-triene.

Molecular Properties

Compound Name7-(cyclohexylmethyl)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-2,4,10-triene
PubChem CID130360616
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name7-(cyclohexylmethyl)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-2,4,10-triene
SMILESC1=CC2c3cncn3C(CC3CCCCC3)C2S1
InChIInChI=1S/C15H20N2S/c1-2-4-11(5-3-1)8-13-15-12(6-7-18-15)14-9-16-10-17(13)14/h6-7,9-13,15H,1-5,8H2
InChIKeyQMXAZSOSODDBPF-UHFFFAOYSA-N
XLogP4.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylmethyl)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-2,4,10-triene?
The IUPAC name of 7-(cyclohexylmethyl)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-2,4,10-triene (CID 130360616) is 7-(cyclohexylmethyl)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-2,4,10-triene.
What is the SMILES notation for 7-(cyclohexylmethyl)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-2,4,10-triene?
The canonical SMILES for 7-(cyclohexylmethyl)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-2,4,10-triene is C1=CC2c3cncn3C(CC3CCCCC3)C2S1.
What is the InChIKey of 7-(cyclohexylmethyl)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-2,4,10-triene?
The InChIKey is QMXAZSOSODDBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-2-4-11(5-3-1)8-13-15-12(6-7-18-15)14-9-16-10-17(13)14/h6-7,9-13,15H,1-5,8H2.
What are the key properties of 7-(cyclohexylmethyl)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-2,4,10-triene?
7-(cyclohexylmethyl)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-2,4,10-triene has a molecular weight of 260.41 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylmethyl)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-2,4,10-triene is sourced from PubChem (CID 130360616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).