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

C13H24N2O2S — CID 2900166

IUPAC1-(cyclohex-3-en-1-ylmethyl)-4-ethylsulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(CC2CC=CCC2)CC1
InChIInChI=1S/C13H24N2O2S/c1-2-18(16,17)15-10-8-14(9-11-15)12-13-6-4-3-5-7-13/h3-4,13H,2,5-12H2,1H3
InChIKeyPOBOSHPECWVQDW-UHFFFAOYSA-N
MW272.41 g/mol
LogP1.31
Rot. Bonds4

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

1-(cyclohex-3-en-1-ylmethyl)-4-ethylsulfonylpiperazine (PubChem CID 2900166) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)-4-ethylsulfonylpiperazine.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)-4-ethylsulfonylpiperazine
PubChem CID2900166
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)-4-ethylsulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(CC2CC=CCC2)CC1
InChIInChI=1S/C13H24N2O2S/c1-2-18(16,17)15-10-8-14(9-11-15)12-13-6-4-3-5-7-13/h3-4,13H,2,5-12H2,1H3
InChIKeyPOBOSHPECWVQDW-UHFFFAOYSA-N
XLogP1.31
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.31
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-ethylsulfonylpiperazine?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-4-ethylsulfonylpiperazine (CID 2900166) is 1-(cyclohex-3-en-1-ylmethyl)-4-ethylsulfonylpiperazine.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)-4-ethylsulfonylpiperazine?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)-4-ethylsulfonylpiperazine is CCS(=O)(=O)N1CCN(CC2CC=CCC2)CC1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)-4-ethylsulfonylpiperazine?
The InChIKey is POBOSHPECWVQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-2-18(16,17)15-10-8-14(9-11-15)12-13-6-4-3-5-7-13/h3-4,13H,2,5-12H2,1H3.
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)-4-ethylsulfonylpiperazine?
1-(cyclohex-3-en-1-ylmethyl)-4-ethylsulfonylpiperazine has a molecular weight of 272.41 g/mol, XLogP of 1.31, 4 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-ethylsulfonylpiperazine is sourced from PubChem (CID 2900166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).