1-cyclohexyl-4-methylsulfonylpiperazine;oxalic acid

C13H24N2O6S — CID 2880054

IUPAC1-cyclohexyl-4-methylsulfonylpiperazine;oxalic acid
SMILESCS(=O)(=O)N1CCN(C2CCCCC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C11H22N2O2S.C2H2O4/c1-16(14,15)13-9-7-12(8-10-13)11-5-3-2-4-6-11;3-1(4)2(5)6/h11H,2-10H2,1H3;(H,3,4)(H,5,6)
InChIKeyQNIHIDKWANSCME-UHFFFAOYSA-N
MW336.41 g/mol
LogP0.05
Rot. Bonds2

About 1-cyclohexyl-4-methylsulfonylpiperazine;oxalic acid

1-cyclohexyl-4-methylsulfonylpiperazine;oxalic acid (PubChem CID 2880054) has the molecular formula C13H24N2O6S and a molecular weight of 336.41 g/mol. Its IUPAC name is 1-cyclohexyl-4-methylsulfonylpiperazine;oxalic acid.

Molecular Properties

Compound Name1-cyclohexyl-4-methylsulfonylpiperazine;oxalic acid
PubChem CID2880054
Molecular FormulaC13H24N2O6S
Molecular Weight336.41 g/mol
Exact Mass336.14
IUPAC Name1-cyclohexyl-4-methylsulfonylpiperazine;oxalic acid
SMILESCS(=O)(=O)N1CCN(C2CCCCC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C11H22N2O2S.C2H2O4/c1-16(14,15)13-9-7-12(8-10-13)11-5-3-2-4-6-11;3-1(4)2(5)6/h11H,2-10H2,1H3;(H,3,4)(H,5,6)
InChIKeyQNIHIDKWANSCME-UHFFFAOYSA-N
XLogP0.05
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-methylsulfonylpiperazine;oxalic acid?
The IUPAC name of 1-cyclohexyl-4-methylsulfonylpiperazine;oxalic acid (CID 2880054) is 1-cyclohexyl-4-methylsulfonylpiperazine;oxalic acid.
What is the SMILES notation for 1-cyclohexyl-4-methylsulfonylpiperazine;oxalic acid?
The canonical SMILES for 1-cyclohexyl-4-methylsulfonylpiperazine;oxalic acid is CS(=O)(=O)N1CCN(C2CCCCC2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-cyclohexyl-4-methylsulfonylpiperazine;oxalic acid?
The InChIKey is QNIHIDKWANSCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S.C2H2O4/c1-16(14,15)13-9-7-12(8-10-13)11-5-3-2-4-6-11;3-1(4)2(5)6/h11H,2-10H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-cyclohexyl-4-methylsulfonylpiperazine;oxalic acid?
1-cyclohexyl-4-methylsulfonylpiperazine;oxalic acid has a molecular weight of 336.41 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-methylsulfonylpiperazine;oxalic acid is sourced from PubChem (CID 2880054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).