1-ethylsulfonyl-4-(4-phenylcyclohexyl)piperazine;oxalic acid

C20H30N2O6S — CID 655358

IUPAC1-ethylsulfonyl-4-(4-phenylcyclohexyl)piperazine;oxalic acid
SMILESCCS(=O)(=O)N1CCN(C2CCC(c3ccccc3)CC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C18H28N2O2S.C2H2O4/c1-2-23(21,22)20-14-12-19(13-15-20)18-10-8-17(9-11-18)16-6-4-3-5-7-16;3-1(4)2(5)6/h3-7,17-18H,2,8-15H2,1H3;(H,3,4)(H,5,6)
InChIKeyZIYXJOCHZFOEFY-UHFFFAOYSA-N
MW426.54 g/mol
LogP1.84
Rot. Bonds4

About 1-ethylsulfonyl-4-(4-phenylcyclohexyl)piperazine;oxalic acid

1-ethylsulfonyl-4-(4-phenylcyclohexyl)piperazine;oxalic acid (PubChem CID 655358) has the molecular formula C20H30N2O6S and a molecular weight of 426.54 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-(4-phenylcyclohexyl)piperazine;oxalic acid.

Molecular Properties

Compound Name1-ethylsulfonyl-4-(4-phenylcyclohexyl)piperazine;oxalic acid
PubChem CID655358
Molecular FormulaC20H30N2O6S
Molecular Weight426.54 g/mol
Exact Mass426.18
IUPAC Name1-ethylsulfonyl-4-(4-phenylcyclohexyl)piperazine;oxalic acid
SMILESCCS(=O)(=O)N1CCN(C2CCC(c3ccccc3)CC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C18H28N2O2S.C2H2O4/c1-2-23(21,22)20-14-12-19(13-15-20)18-10-8-17(9-11-18)16-6-4-3-5-7-16;3-1(4)2(5)6/h3-7,17-18H,2,8-15H2,1H3;(H,3,4)(H,5,6)
InChIKeyZIYXJOCHZFOEFY-UHFFFAOYSA-N
XLogP1.84
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(Propane-1-sulfonyl)-4-(2-trifluoromethyl-benzyl)-piperazine
CID 653633
1-(Benzylsulfonyl)-4-(4-ethylbenzyl)piperazine oxalate
CID 2900486
1-Indan-2-yl-4-(propane-1-sulfonyl)-piperazine
CID 2900997
1-(3-Phenyl-propyl)-4-(propane-1-sulfonyl)-piperazine
CID 647298
1-Benzenesulfonyl-4-(3-methyl-cyclohexyl)-piperazine
CID 2881352
1-Ethanesulfonyl-4-indan-2-yl-piperazine
CID 2902318
1-Indan-2-yl-4-methanesulfonyl-piperazine
CID 9549442
N-[1-(4-benzylpiperidin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide;oxalic acid
CID 16196789
N-[1-(4-benzylpiperidin-1-yl)-2-methylpropan-2-yl]-4-methylbenzenesulfonamide;oxalic acid
CID 16196802
1-[(4-Ethylphenyl)methyl]-4-ethylsulfonylpiperazine;oxalic acid
CID 126477253
1-(Ethylsulfonyl)-4-(4-phenylcyclohexyl)piperazine
CID 655359
1-[(4-Ethylphenyl)methyl]-4-propylsulfonylpiperazine;oxalic acid
CID 2901853

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-(4-phenylcyclohexyl)piperazine;oxalic acid?
The IUPAC name of 1-ethylsulfonyl-4-(4-phenylcyclohexyl)piperazine;oxalic acid (CID 655358) is 1-ethylsulfonyl-4-(4-phenylcyclohexyl)piperazine;oxalic acid.
What is the SMILES notation for 1-ethylsulfonyl-4-(4-phenylcyclohexyl)piperazine;oxalic acid?
The canonical SMILES for 1-ethylsulfonyl-4-(4-phenylcyclohexyl)piperazine;oxalic acid is CCS(=O)(=O)N1CCN(C2CCC(c3ccccc3)CC2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-ethylsulfonyl-4-(4-phenylcyclohexyl)piperazine;oxalic acid?
The InChIKey is ZIYXJOCHZFOEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S.C2H2O4/c1-2-23(21,22)20-14-12-19(13-15-20)18-10-8-17(9-11-18)16-6-4-3-5-7-16;3-1(4)2(5)6/h3-7,17-18H,2,8-15H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-ethylsulfonyl-4-(4-phenylcyclohexyl)piperazine;oxalic acid?
1-ethylsulfonyl-4-(4-phenylcyclohexyl)piperazine;oxalic acid has a molecular weight of 426.54 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-(4-phenylcyclohexyl)piperazine;oxalic acid is sourced from PubChem (CID 655358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).