2-piperidin-4-ylidene-13-thia-4,7-diazatricyclo[8.3.0.03,7]trideca-1(10),3,5,8,11-pentaene

C15H15N3S — CID 19048680

IUPAC2-piperidin-4-ylidene-13-thia-4,7-diazatricyclo[8.3.0.03,7]trideca-1(10),3,5,8,11-pentaene
SMILESC1=Cn2ccnc2C(=C2CCNCC2)c2sccc21
InChIInChI=1S/C15H15N3S/c1-5-16-6-2-11(1)13-14-12(4-10-19-14)3-8-18-9-7-17-15(13)18/h3-4,7-10,16H,1-2,5-6H2
InChIKeyWPJJIWJAPSWZGN-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.07
Rot. Bonds

About 2-piperidin-4-ylidene-13-thia-4,7-diazatricyclo[8.3.0.03,7]trideca-1(10),3,5,8,11-pentaene

2-piperidin-4-ylidene-13-thia-4,7-diazatricyclo[8.3.0.03,7]trideca-1(10),3,5,8,11-pentaene (PubChem CID 19048680) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-piperidin-4-ylidene-13-thia-4,7-diazatricyclo[8.3.0.03,7]trideca-1(10),3,5,8,11-pentaene.

Molecular Properties

Compound Name2-piperidin-4-ylidene-13-thia-4,7-diazatricyclo[8.3.0.03,7]trideca-1(10),3,5,8,11-pentaene
PubChem CID19048680
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name2-piperidin-4-ylidene-13-thia-4,7-diazatricyclo[8.3.0.03,7]trideca-1(10),3,5,8,11-pentaene
SMILESC1=Cn2ccnc2C(=C2CCNCC2)c2sccc21
InChIInChI=1S/C15H15N3S/c1-5-16-6-2-11(1)13-14-12(4-10-19-14)3-8-18-9-7-17-15(13)18/h3-4,7-10,16H,1-2,5-6H2
InChIKeyWPJJIWJAPSWZGN-UHFFFAOYSA-N
XLogP3.07
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-piperidin-4-ylidene-13-thia-4,7-diazatricyclo[8.3.0.03,7]trideca-1(10),3,5,8,11-pentaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylidene-13-thia-4,7-diazatricyclo[8.3.0.03,7]trideca-1(10),3,5,8,11-pentaene?
The IUPAC name of 2-piperidin-4-ylidene-13-thia-4,7-diazatricyclo[8.3.0.03,7]trideca-1(10),3,5,8,11-pentaene (CID 19048680) is 2-piperidin-4-ylidene-13-thia-4,7-diazatricyclo[8.3.0.03,7]trideca-1(10),3,5,8,11-pentaene.
What is the SMILES notation for 2-piperidin-4-ylidene-13-thia-4,7-diazatricyclo[8.3.0.03,7]trideca-1(10),3,5,8,11-pentaene?
The canonical SMILES for 2-piperidin-4-ylidene-13-thia-4,7-diazatricyclo[8.3.0.03,7]trideca-1(10),3,5,8,11-pentaene is C1=Cn2ccnc2C(=C2CCNCC2)c2sccc21.
What is the InChIKey of 2-piperidin-4-ylidene-13-thia-4,7-diazatricyclo[8.3.0.03,7]trideca-1(10),3,5,8,11-pentaene?
The InChIKey is WPJJIWJAPSWZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-5-16-6-2-11(1)13-14-12(4-10-19-14)3-8-18-9-7-17-15(13)18/h3-4,7-10,16H,1-2,5-6H2.
What are the key properties of 2-piperidin-4-ylidene-13-thia-4,7-diazatricyclo[8.3.0.03,7]trideca-1(10),3,5,8,11-pentaene?
2-piperidin-4-ylidene-13-thia-4,7-diazatricyclo[8.3.0.03,7]trideca-1(10),3,5,8,11-pentaene has a molecular weight of 269.37 g/mol, XLogP of 3.07, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylidene-13-thia-4,7-diazatricyclo[8.3.0.03,7]trideca-1(10),3,5,8,11-pentaene is sourced from PubChem (CID 19048680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).