1-(cyclohex-3-en-1-ylmethyl)-4-propylsulfonylpiperazine

C14H26N2O2S — CID 2902251

IUPAC1-(cyclohex-3-en-1-ylmethyl)-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(CC2CC=CCC2)CC1
InChIInChI=1S/C14H26N2O2S/c1-2-12-19(17,18)16-10-8-15(9-11-16)13-14-6-4-3-5-7-14/h3-4,14H,2,5-13H2,1H3
InChIKeyQSUYKINLPPFIRE-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.70
Rot. Bonds5

About 1-(cyclohex-3-en-1-ylmethyl)-4-propylsulfonylpiperazine

1-(cyclohex-3-en-1-ylmethyl)-4-propylsulfonylpiperazine (PubChem CID 2902251) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)-4-propylsulfonylpiperazine.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)-4-propylsulfonylpiperazine
PubChem CID2902251
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(CC2CC=CCC2)CC1
InChIInChI=1S/C14H26N2O2S/c1-2-12-19(17,18)16-10-8-15(9-11-16)13-14-6-4-3-5-7-14/h3-4,14H,2,5-13H2,1H3
InChIKeyQSUYKINLPPFIRE-UHFFFAOYSA-N
XLogP1.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-4-propylsulfonylpiperazine?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-4-propylsulfonylpiperazine (CID 2902251) is 1-(cyclohex-3-en-1-ylmethyl)-4-propylsulfonylpiperazine.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)-4-propylsulfonylpiperazine?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)-4-propylsulfonylpiperazine is CCCS(=O)(=O)N1CCN(CC2CC=CCC2)CC1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)-4-propylsulfonylpiperazine?
The InChIKey is QSUYKINLPPFIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-2-12-19(17,18)16-10-8-15(9-11-16)13-14-6-4-3-5-7-14/h3-4,14H,2,5-13H2,1H3.
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)-4-propylsulfonylpiperazine?
1-(cyclohex-3-en-1-ylmethyl)-4-propylsulfonylpiperazine has a molecular weight of 286.44 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethyl)-4-propylsulfonylpiperazine is sourced from PubChem (CID 2902251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).