1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperazine

C11H18N2O2S — CID 141093329

IUPAC1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperazine
SMILESCC1(S(=O)(=O)N2CCNCC2)C=CC=CC1
InChIInChI=1S/C11H18N2O2S/c1-11(5-3-2-4-6-11)16(14,15)13-9-7-12-8-10-13/h2-5,12H,6-10H2,1H3
InChIKeyCAHMCCJTIMKZCL-UHFFFAOYSA-N
MW242.34 g/mol
LogP0.50
Rot. Bonds2

About 1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperazine

1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperazine (PubChem CID 141093329) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperazine
PubChem CID141093329
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperazine
SMILESCC1(S(=O)(=O)N2CCNCC2)C=CC=CC1
InChIInChI=1S/C11H18N2O2S/c1-11(5-3-2-4-6-11)16(14,15)13-9-7-12-8-10-13/h2-5,12H,6-10H2,1H3
InChIKeyCAHMCCJTIMKZCL-UHFFFAOYSA-N
XLogP0.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperazine?
The IUPAC name of 1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperazine (CID 141093329) is 1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperazine?
The canonical SMILES for 1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperazine is CC1(S(=O)(=O)N2CCNCC2)C=CC=CC1.
What is the InChIKey of 1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperazine?
The InChIKey is CAHMCCJTIMKZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-11(5-3-2-4-6-11)16(14,15)13-9-7-12-8-10-13/h2-5,12H,6-10H2,1H3.
What are the key properties of 1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperazine?
1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperazine has a molecular weight of 242.34 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperazine is sourced from PubChem (CID 141093329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).