1-cyclopentyl-4-methylsulfonylpiperazine;oxalic acid

C12H22N2O6S — CID 2881886

IUPAC1-cyclopentyl-4-methylsulfonylpiperazine;oxalic acid
SMILESCS(=O)(=O)N1CCN(C2CCCC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C10H20N2O2S.C2H2O4/c1-15(13,14)12-8-6-11(7-9-12)10-4-2-3-5-10;3-1(4)2(5)6/h10H,2-9H2,1H3;(H,3,4)(H,5,6)
InChIKeySYJNFIVSEJNOEE-UHFFFAOYSA-N
MW322.38 g/mol
LogP-0.34
Rot. Bonds2

About 1-cyclopentyl-4-methylsulfonylpiperazine;oxalic acid

1-cyclopentyl-4-methylsulfonylpiperazine;oxalic acid (PubChem CID 2881886) has the molecular formula C12H22N2O6S and a molecular weight of 322.38 g/mol. Its IUPAC name is 1-cyclopentyl-4-methylsulfonylpiperazine;oxalic acid.

Molecular Properties

Compound Name1-cyclopentyl-4-methylsulfonylpiperazine;oxalic acid
PubChem CID2881886
Molecular FormulaC12H22N2O6S
Molecular Weight322.38 g/mol
Exact Mass322.12
IUPAC Name1-cyclopentyl-4-methylsulfonylpiperazine;oxalic acid
SMILESCS(=O)(=O)N1CCN(C2CCCC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C10H20N2O2S.C2H2O4/c1-15(13,14)12-8-6-11(7-9-12)10-4-2-3-5-10;3-1(4)2(5)6/h10H,2-9H2,1H3;(H,3,4)(H,5,6)
InChIKeySYJNFIVSEJNOEE-UHFFFAOYSA-N
XLogP-0.34
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 5-0.34
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-cyclopentyl-4-methylsulfonylpiperazine;oxalic acid?
The IUPAC name of 1-cyclopentyl-4-methylsulfonylpiperazine;oxalic acid (CID 2881886) is 1-cyclopentyl-4-methylsulfonylpiperazine;oxalic acid.
What is the SMILES notation for 1-cyclopentyl-4-methylsulfonylpiperazine;oxalic acid?
The canonical SMILES for 1-cyclopentyl-4-methylsulfonylpiperazine;oxalic acid is CS(=O)(=O)N1CCN(C2CCCC2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-cyclopentyl-4-methylsulfonylpiperazine;oxalic acid?
The InChIKey is SYJNFIVSEJNOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S.C2H2O4/c1-15(13,14)12-8-6-11(7-9-12)10-4-2-3-5-10;3-1(4)2(5)6/h10H,2-9H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-cyclopentyl-4-methylsulfonylpiperazine;oxalic acid?
1-cyclopentyl-4-methylsulfonylpiperazine;oxalic acid has a molecular weight of 322.38 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-methylsulfonylpiperazine;oxalic acid is sourced from PubChem (CID 2881886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).