2-(2-methylsulfonylethylsulfonylamino)cyclopentane-1-carboxylic acid

C9H17NO6S2 — CID 64817595

IUPAC2-(2-methylsulfonylethylsulfonylamino)cyclopentane-1-carboxylic acid
SMILESCS(=O)(=O)CCS(=O)(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C9H17NO6S2/c1-17(13,14)5-6-18(15,16)10-8-4-2-3-7(8)9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyXAFSVGSTWBNGLO-UHFFFAOYSA-N
MW299.37 g/mol
LogP-0.80
Rot. Bonds6

About 2-(2-methylsulfonylethylsulfonylamino)cyclopentane-1-carboxylic acid

2-(2-methylsulfonylethylsulfonylamino)cyclopentane-1-carboxylic acid (PubChem CID 64817595) has the molecular formula C9H17NO6S2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(2-methylsulfonylethylsulfonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylsulfonylethylsulfonylamino)cyclopentane-1-carboxylic acid
PubChem CID64817595
Molecular FormulaC9H17NO6S2
Molecular Weight299.37 g/mol
Exact Mass299.05
IUPAC Name2-(2-methylsulfonylethylsulfonylamino)cyclopentane-1-carboxylic acid
SMILESCS(=O)(=O)CCS(=O)(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C9H17NO6S2/c1-17(13,14)5-6-18(15,16)10-8-4-2-3-7(8)9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyXAFSVGSTWBNGLO-UHFFFAOYSA-N
XLogP-0.80
TPSA117.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylethylsulfonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(2-methylsulfonylethylsulfonylamino)cyclopentane-1-carboxylic acid (CID 64817595) is 2-(2-methylsulfonylethylsulfonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(2-methylsulfonylethylsulfonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(2-methylsulfonylethylsulfonylamino)cyclopentane-1-carboxylic acid is CS(=O)(=O)CCS(=O)(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-(2-methylsulfonylethylsulfonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is XAFSVGSTWBNGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO6S2/c1-17(13,14)5-6-18(15,16)10-8-4-2-3-7(8)9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-(2-methylsulfonylethylsulfonylamino)cyclopentane-1-carboxylic acid?
2-(2-methylsulfonylethylsulfonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of -0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylethylsulfonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64817595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).