1-ethylsulfonyl-4-propan-2-ylpiperazine;oxalic acid

C11H22N2O6S — CID 2901266

IUPAC1-ethylsulfonyl-4-propan-2-ylpiperazine;oxalic acid
SMILESCCS(=O)(=O)N1CCN(C(C)C)CC1.O=C(O)C(=O)O
InChIInChI=1S/C9H20N2O2S.C2H2O4/c1-4-14(12,13)11-7-5-10(6-8-11)9(2)3;3-1(4)2(5)6/h9H,4-8H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyFTIULKLZQMVMIN-UHFFFAOYSA-N
MW310.37 g/mol
LogP-0.48
Rot. Bonds3

About 1-ethylsulfonyl-4-propan-2-ylpiperazine;oxalic acid

1-ethylsulfonyl-4-propan-2-ylpiperazine;oxalic acid (PubChem CID 2901266) has the molecular formula C11H22N2O6S and a molecular weight of 310.37 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-propan-2-ylpiperazine;oxalic acid.

Molecular Properties

Compound Name1-ethylsulfonyl-4-propan-2-ylpiperazine;oxalic acid
PubChem CID2901266
Molecular FormulaC11H22N2O6S
Molecular Weight310.37 g/mol
Exact Mass310.12
IUPAC Name1-ethylsulfonyl-4-propan-2-ylpiperazine;oxalic acid
SMILESCCS(=O)(=O)N1CCN(C(C)C)CC1.O=C(O)C(=O)O
InChIInChI=1S/C9H20N2O2S.C2H2O4/c1-4-14(12,13)11-7-5-10(6-8-11)9(2)3;3-1(4)2(5)6/h9H,4-8H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyFTIULKLZQMVMIN-UHFFFAOYSA-N
XLogP-0.48
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 5-0.48
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-Butan-2-yl-4-propylsulfonylpiperazine;oxalic acid
CID 2900393
1-Isopropyl-4-(propylsulfonyl)piperazine oxalate
CID 2900584
1-Cyclohexyl-4-propylsulfonylpiperazine;oxalic acid
CID 90483669
1-Cyclopentyl-4-methylsulfonylpiperazine;oxalic acid
CID 2881886
1-Cyclopentyl-4-ethylsulfonylpiperazine;oxalic acid
CID 2900514
1-Ethylsulfonyl-4-(1-propylpiperidin-4-yl)piperazine;oxalic acid
CID 2902413
Oxalic acid;1-pentan-3-yl-4-propylsulfonylpiperazine
CID 44828265
1-Butan-2-yl-4-ethylsulfonylpiperazine;oxalic acid
CID 90481322
1-Cyclohexyl-4-ethylsulfonylpiperazine;oxalic acid
CID 90483692
1-Cycloheptyl-4-ethylsulfonylpiperazine;oxalic acid
CID 90483746
1-Ethylsulfonyl-4-pentan-3-ylpiperazine;oxalic acid
CID 126467801
1-Ethylsulfonyl-4-methylsulfonylpiperazine;oxalic acid
CID 126477356

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-propan-2-ylpiperazine;oxalic acid?
The IUPAC name of 1-ethylsulfonyl-4-propan-2-ylpiperazine;oxalic acid (CID 2901266) is 1-ethylsulfonyl-4-propan-2-ylpiperazine;oxalic acid.
What is the SMILES notation for 1-ethylsulfonyl-4-propan-2-ylpiperazine;oxalic acid?
The canonical SMILES for 1-ethylsulfonyl-4-propan-2-ylpiperazine;oxalic acid is CCS(=O)(=O)N1CCN(C(C)C)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-ethylsulfonyl-4-propan-2-ylpiperazine;oxalic acid?
The InChIKey is FTIULKLZQMVMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S.C2H2O4/c1-4-14(12,13)11-7-5-10(6-8-11)9(2)3;3-1(4)2(5)6/h9H,4-8H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of 1-ethylsulfonyl-4-propan-2-ylpiperazine;oxalic acid?
1-ethylsulfonyl-4-propan-2-ylpiperazine;oxalic acid has a molecular weight of 310.37 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-propan-2-ylpiperazine;oxalic acid is sourced from PubChem (CID 2901266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).