1-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)sulfonylpiperazine

C13H22N2O2S — CID 141105977

IUPAC1-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)sulfonylpiperazine
SMILESCC1=CC(C)(S(=O)(=O)N2CCNCC2)CC(C)=C1
InChIInChI=1S/C13H22N2O2S/c1-11-8-12(2)10-13(3,9-11)18(16,17)15-6-4-14-5-7-15/h8-9,14H,4-7,10H2,1-3H3
InChIKeyDUNANSHILLVYMG-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.28
Rot. Bonds2

About 1-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)sulfonylpiperazine

1-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)sulfonylpiperazine (PubChem CID 141105977) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 1-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)sulfonylpiperazine
PubChem CID141105977
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name1-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)sulfonylpiperazine
SMILESCC1=CC(C)(S(=O)(=O)N2CCNCC2)CC(C)=C1
InChIInChI=1S/C13H22N2O2S/c1-11-8-12(2)10-13(3,9-11)18(16,17)15-6-4-14-5-7-15/h8-9,14H,4-7,10H2,1-3H3
InChIKeyDUNANSHILLVYMG-UHFFFAOYSA-N
XLogP1.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)sulfonylpiperazine?
The IUPAC name of 1-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)sulfonylpiperazine (CID 141105977) is 1-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)sulfonylpiperazine?
The canonical SMILES for 1-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)sulfonylpiperazine is CC1=CC(C)(S(=O)(=O)N2CCNCC2)CC(C)=C1.
What is the InChIKey of 1-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)sulfonylpiperazine?
The InChIKey is DUNANSHILLVYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-11-8-12(2)10-13(3,9-11)18(16,17)15-6-4-14-5-7-15/h8-9,14H,4-7,10H2,1-3H3.
What are the key properties of 1-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)sulfonylpiperazine?
1-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)sulfonylpiperazine has a molecular weight of 270.40 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)sulfonylpiperazine is sourced from PubChem (CID 141105977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).