3,4-bis(ethenyl)-5-methyl-2-thia-5-azabicyclo[5.5.0]dodeca-1(7),3,8,11-tetraene

C15H17NS — CID 142986165

IUPAC3,4-bis(ethenyl)-5-methyl-2-thia-5-azabicyclo[5.5.0]dodeca-1(7),3,8,11-tetraene
SMILESC=CC1=C(C=C)N(C)CC2=C(C=CCC=C2)S1
InChIInChI=1S/C15H17NS/c1-4-13-14(5-2)17-15-10-8-6-7-9-12(15)11-16(13)3/h4-5,7-10H,1-2,6,11H2,3H3
InChIKeyRZNULCLBEJMLTI-UHFFFAOYSA-N
MW243.37 g/mol
LogP4.02
Rot. Bonds2

About 3,4-bis(ethenyl)-5-methyl-2-thia-5-azabicyclo[5.5.0]dodeca-1(7),3,8,11-tetraene

3,4-bis(ethenyl)-5-methyl-2-thia-5-azabicyclo[5.5.0]dodeca-1(7),3,8,11-tetraene (PubChem CID 142986165) has the molecular formula C15H17NS and a molecular weight of 243.37 g/mol. Its IUPAC name is 3,4-bis(ethenyl)-5-methyl-2-thia-5-azabicyclo[5.5.0]dodeca-1(7),3,8,11-tetraene.

Molecular Properties

Compound Name3,4-bis(ethenyl)-5-methyl-2-thia-5-azabicyclo[5.5.0]dodeca-1(7),3,8,11-tetraene
PubChem CID142986165
Molecular FormulaC15H17NS
Molecular Weight243.37 g/mol
Exact Mass243.11
IUPAC Name3,4-bis(ethenyl)-5-methyl-2-thia-5-azabicyclo[5.5.0]dodeca-1(7),3,8,11-tetraene
SMILESC=CC1=C(C=C)N(C)CC2=C(C=CCC=C2)S1
InChIInChI=1S/C15H17NS/c1-4-13-14(5-2)17-15-10-8-6-7-9-12(15)11-16(13)3/h4-5,7-10H,1-2,6,11H2,3H3
InChIKeyRZNULCLBEJMLTI-UHFFFAOYSA-N
XLogP4.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(ethenyl)-5-methyl-2-thia-5-azabicyclo[5.5.0]dodeca-1(7),3,8,11-tetraene?
The IUPAC name of 3,4-bis(ethenyl)-5-methyl-2-thia-5-azabicyclo[5.5.0]dodeca-1(7),3,8,11-tetraene (CID 142986165) is 3,4-bis(ethenyl)-5-methyl-2-thia-5-azabicyclo[5.5.0]dodeca-1(7),3,8,11-tetraene.
What is the SMILES notation for 3,4-bis(ethenyl)-5-methyl-2-thia-5-azabicyclo[5.5.0]dodeca-1(7),3,8,11-tetraene?
The canonical SMILES for 3,4-bis(ethenyl)-5-methyl-2-thia-5-azabicyclo[5.5.0]dodeca-1(7),3,8,11-tetraene is C=CC1=C(C=C)N(C)CC2=C(C=CCC=C2)S1.
What is the InChIKey of 3,4-bis(ethenyl)-5-methyl-2-thia-5-azabicyclo[5.5.0]dodeca-1(7),3,8,11-tetraene?
The InChIKey is RZNULCLBEJMLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c1-4-13-14(5-2)17-15-10-8-6-7-9-12(15)11-16(13)3/h4-5,7-10H,1-2,6,11H2,3H3.
What are the key properties of 3,4-bis(ethenyl)-5-methyl-2-thia-5-azabicyclo[5.5.0]dodeca-1(7),3,8,11-tetraene?
3,4-bis(ethenyl)-5-methyl-2-thia-5-azabicyclo[5.5.0]dodeca-1(7),3,8,11-tetraene has a molecular weight of 243.37 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenyl)-5-methyl-2-thia-5-azabicyclo[5.5.0]dodeca-1(7),3,8,11-tetraene is sourced from PubChem (CID 142986165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).