1-cyclohexa-1,3-dien-1-ylsulfonyl-4-propylpiperazine

C13H22N2O2S — CID 147878966

IUPAC1-cyclohexa-1,3-dien-1-ylsulfonyl-4-propylpiperazine
SMILESCCCN1CCN(S(=O)(=O)C2=CC=CCC2)CC1
InChIInChI=1S/C13H22N2O2S/c1-2-8-14-9-11-15(12-10-14)18(16,17)13-6-4-3-5-7-13/h3-4,6H,2,5,7-12H2,1H3
InChIKeyIABMJMGAMATNNM-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.58
Rot. Bonds4

About 1-cyclohexa-1,3-dien-1-ylsulfonyl-4-propylpiperazine

1-cyclohexa-1,3-dien-1-ylsulfonyl-4-propylpiperazine (PubChem CID 147878966) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-ylsulfonyl-4-propylpiperazine.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-ylsulfonyl-4-propylpiperazine
PubChem CID147878966
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name1-cyclohexa-1,3-dien-1-ylsulfonyl-4-propylpiperazine
SMILESCCCN1CCN(S(=O)(=O)C2=CC=CCC2)CC1
InChIInChI=1S/C13H22N2O2S/c1-2-8-14-9-11-15(12-10-14)18(16,17)13-6-4-3-5-7-13/h3-4,6H,2,5,7-12H2,1H3
InChIKeyIABMJMGAMATNNM-UHFFFAOYSA-N
XLogP1.58
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,3-dien-1-ylsulfonyl-4-propylpiperazine?
The IUPAC name of 1-cyclohexa-1,3-dien-1-ylsulfonyl-4-propylpiperazine (CID 147878966) is 1-cyclohexa-1,3-dien-1-ylsulfonyl-4-propylpiperazine.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-ylsulfonyl-4-propylpiperazine?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-ylsulfonyl-4-propylpiperazine is CCCN1CCN(S(=O)(=O)C2=CC=CCC2)CC1.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-ylsulfonyl-4-propylpiperazine?
The InChIKey is IABMJMGAMATNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-2-8-14-9-11-15(12-10-14)18(16,17)13-6-4-3-5-7-13/h3-4,6H,2,5,7-12H2,1H3.
What are the key properties of 1-cyclohexa-1,3-dien-1-ylsulfonyl-4-propylpiperazine?
1-cyclohexa-1,3-dien-1-ylsulfonyl-4-propylpiperazine has a molecular weight of 270.40 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-ylsulfonyl-4-propylpiperazine is sourced from PubChem (CID 147878966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).