1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfonyl)piperazine

C20H24N2O2S — CID 3051226

IUPAC1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfonyl)piperazine
SMILESCN1CCN(S(=O)(=O)C2c3ccccc3CCc3ccccc32)CC1
InChIInChI=1S/C20H24N2O2S/c1-21-12-14-22(15-13-21)25(23,24)20-18-8-4-2-6-16(18)10-11-17-7-3-5-9-19(17)20/h2-9,20H,10-15H2,1H3
InChIKeyABJBXGUBXHNMKN-UHFFFAOYSA-N
MW356.49 g/mol
LogP2.45
Rot. Bonds2

About 1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfonyl)piperazine

1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfonyl)piperazine (PubChem CID 3051226) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfonyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfonyl)piperazine
PubChem CID3051226
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfonyl)piperazine
SMILESCN1CCN(S(=O)(=O)C2c3ccccc3CCc3ccccc32)CC1
InChIInChI=1S/C20H24N2O2S/c1-21-12-14-22(15-13-21)25(23,24)20-18-8-4-2-6-16(18)10-11-17-7-3-5-9-19(17)20/h2-9,20H,10-15H2,1H3
InChIKeyABJBXGUBXHNMKN-UHFFFAOYSA-N
XLogP2.45
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfonyl)piperazine?
The IUPAC name of 1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfonyl)piperazine (CID 3051226) is 1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfonyl)piperazine.
What is the SMILES notation for 1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfonyl)piperazine?
The canonical SMILES for 1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfonyl)piperazine is CN1CCN(S(=O)(=O)C2c3ccccc3CCc3ccccc32)CC1.
What is the InChIKey of 1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfonyl)piperazine?
The InChIKey is ABJBXGUBXHNMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-21-12-14-22(15-13-21)25(23,24)20-18-8-4-2-6-16(18)10-11-17-7-3-5-9-19(17)20/h2-9,20H,10-15H2,1H3.
What are the key properties of 1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfonyl)piperazine?
1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfonyl)piperazine has a molecular weight of 356.49 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfonyl)piperazine is sourced from PubChem (CID 3051226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).