3,5,9-trimethyl-8-thia-2,6-diazatricyclo[7.6.0.02,7]pentadec-6-ene

C15H26N2S — CID 166733166

IUPAC3,5,9-trimethyl-8-thia-2,6-diazatricyclo[7.6.0.02,7]pentadec-6-ene
SMILESCC1CC(C)N2C(=N1)SC1(C)CCCCCCC21
InChIInChI=1S/C15H26N2S/c1-11-10-12(2)17-13-8-6-4-5-7-9-15(13,3)18-14(17)16-11/h11-13H,4-10H2,1-3H3
InChIKeyWJVTYTOYVYUOST-UHFFFAOYSA-N
MW266.45 g/mol
LogP4.05
Rot. Bonds

About 3,5,9-trimethyl-8-thia-2,6-diazatricyclo[7.6.0.02,7]pentadec-6-ene

3,5,9-trimethyl-8-thia-2,6-diazatricyclo[7.6.0.02,7]pentadec-6-ene (PubChem CID 166733166) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 3,5,9-trimethyl-8-thia-2,6-diazatricyclo[7.6.0.02,7]pentadec-6-ene.

Molecular Properties

Compound Name3,5,9-trimethyl-8-thia-2,6-diazatricyclo[7.6.0.02,7]pentadec-6-ene
PubChem CID166733166
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name3,5,9-trimethyl-8-thia-2,6-diazatricyclo[7.6.0.02,7]pentadec-6-ene
SMILESCC1CC(C)N2C(=N1)SC1(C)CCCCCCC21
InChIInChI=1S/C15H26N2S/c1-11-10-12(2)17-13-8-6-4-5-7-9-15(13,3)18-14(17)16-11/h11-13H,4-10H2,1-3H3
InChIKeyWJVTYTOYVYUOST-UHFFFAOYSA-N
XLogP4.05
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 147424819
CID 147424819
8-methyl-N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine
CID 167191017
CID 173809942
CID 173809942

Frequently Asked Questions

What is the IUPAC name of 3,5,9-trimethyl-8-thia-2,6-diazatricyclo[7.6.0.02,7]pentadec-6-ene?
The IUPAC name of 3,5,9-trimethyl-8-thia-2,6-diazatricyclo[7.6.0.02,7]pentadec-6-ene (CID 166733166) is 3,5,9-trimethyl-8-thia-2,6-diazatricyclo[7.6.0.02,7]pentadec-6-ene.
What is the SMILES notation for 3,5,9-trimethyl-8-thia-2,6-diazatricyclo[7.6.0.02,7]pentadec-6-ene?
The canonical SMILES for 3,5,9-trimethyl-8-thia-2,6-diazatricyclo[7.6.0.02,7]pentadec-6-ene is CC1CC(C)N2C(=N1)SC1(C)CCCCCCC21.
What is the InChIKey of 3,5,9-trimethyl-8-thia-2,6-diazatricyclo[7.6.0.02,7]pentadec-6-ene?
The InChIKey is WJVTYTOYVYUOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-11-10-12(2)17-13-8-6-4-5-7-9-15(13,3)18-14(17)16-11/h11-13H,4-10H2,1-3H3.
What are the key properties of 3,5,9-trimethyl-8-thia-2,6-diazatricyclo[7.6.0.02,7]pentadec-6-ene?
3,5,9-trimethyl-8-thia-2,6-diazatricyclo[7.6.0.02,7]pentadec-6-ene has a molecular weight of 266.45 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,9-trimethyl-8-thia-2,6-diazatricyclo[7.6.0.02,7]pentadec-6-ene is sourced from PubChem (CID 166733166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).