1-(benzylsulfonylamino)cyclopentane-1-carboxylic acid

C13H17NO4S — CID 22179808

IUPAC1-(benzylsulfonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)Cc2ccccc2)CCCC1
InChIInChI=1S/C13H17NO4S/c15-12(16)13(8-4-5-9-13)14-19(17,18)10-11-6-2-1-3-7-11/h1-3,6-7,14H,4-5,8-10H2,(H,15,16)
InChIKeyZURYKMUWEOQRHM-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.50
Rot. Bonds5

About 1-(benzylsulfonylamino)cyclopentane-1-carboxylic acid

1-(benzylsulfonylamino)cyclopentane-1-carboxylic acid (PubChem CID 22179808) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-(benzylsulfonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(benzylsulfonylamino)cyclopentane-1-carboxylic acid
PubChem CID22179808
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name1-(benzylsulfonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)Cc2ccccc2)CCCC1
InChIInChI=1S/C13H17NO4S/c15-12(16)13(8-4-5-9-13)14-19(17,18)10-11-6-2-1-3-7-11/h1-3,6-7,14H,4-5,8-10H2,(H,15,16)
InChIKeyZURYKMUWEOQRHM-UHFFFAOYSA-N
XLogP1.50
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzylsulfonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(benzylsulfonylamino)cyclopentane-1-carboxylic acid (CID 22179808) is 1-(benzylsulfonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(benzylsulfonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(benzylsulfonylamino)cyclopentane-1-carboxylic acid is O=C(O)C1(NS(=O)(=O)Cc2ccccc2)CCCC1.
What is the InChIKey of 1-(benzylsulfonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is ZURYKMUWEOQRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c15-12(16)13(8-4-5-9-13)14-19(17,18)10-11-6-2-1-3-7-11/h1-3,6-7,14H,4-5,8-10H2,(H,15,16).
What are the key properties of 1-(benzylsulfonylamino)cyclopentane-1-carboxylic acid?
1-(benzylsulfonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 283.35 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylsulfonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 22179808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).