2-(4-methylsulfonylpiperazin-1-yl)cyclopentane-1-carboxylic acid

C11H20N2O4S — CID 55146522

IUPAC2-(4-methylsulfonylpiperazin-1-yl)cyclopentane-1-carboxylic acid
SMILESCS(=O)(=O)N1CCN(C2CCCC2C(=O)O)CC1
InChIInChI=1S/C11H20N2O4S/c1-18(16,17)13-7-5-12(6-8-13)10-4-2-3-9(10)11(14)15/h9-10H,2-8H2,1H3,(H,14,15)
InChIKeyGQMWWNGYKHNXJL-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.18
Rot. Bonds3

About 2-(4-methylsulfonylpiperazin-1-yl)cyclopentane-1-carboxylic acid

2-(4-methylsulfonylpiperazin-1-yl)cyclopentane-1-carboxylic acid (PubChem CID 55146522) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-(4-methylsulfonylpiperazin-1-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-methylsulfonylpiperazin-1-yl)cyclopentane-1-carboxylic acid
PubChem CID55146522
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name2-(4-methylsulfonylpiperazin-1-yl)cyclopentane-1-carboxylic acid
SMILESCS(=O)(=O)N1CCN(C2CCCC2C(=O)O)CC1
InChIInChI=1S/C11H20N2O4S/c1-18(16,17)13-7-5-12(6-8-13)10-4-2-3-9(10)11(14)15/h9-10H,2-8H2,1H3,(H,14,15)
InChIKeyGQMWWNGYKHNXJL-UHFFFAOYSA-N
XLogP-0.18
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)cyclopentane-1-carboxylic acid (CID 55146522) is 2-(4-methylsulfonylpiperazin-1-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(4-methylsulfonylpiperazin-1-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(4-methylsulfonylpiperazin-1-yl)cyclopentane-1-carboxylic acid is CS(=O)(=O)N1CCN(C2CCCC2C(=O)O)CC1.
What is the InChIKey of 2-(4-methylsulfonylpiperazin-1-yl)cyclopentane-1-carboxylic acid?
The InChIKey is GQMWWNGYKHNXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-18(16,17)13-7-5-12(6-8-13)10-4-2-3-9(10)11(14)15/h9-10H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-(4-methylsulfonylpiperazin-1-yl)cyclopentane-1-carboxylic acid?
2-(4-methylsulfonylpiperazin-1-yl)cyclopentane-1-carboxylic acid has a molecular weight of 276.36 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylpiperazin-1-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 55146522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).