4-(cyclopropylsulfonylamino)-2-ethyl-1-fluorocyclopentane-1-carboxylic acid

C11H18FNO4S — CID 141383365

IUPAC4-(cyclopropylsulfonylamino)-2-ethyl-1-fluorocyclopentane-1-carboxylic acid
SMILESCCC1CC(NS(=O)(=O)C2CC2)CC1(F)C(=O)O
InChIInChI=1S/C11H18FNO4S/c1-2-7-5-8(6-11(7,12)10(14)15)13-18(16,17)9-3-4-9/h7-9,13H,2-6H2,1H3,(H,14,15)
InChIKeyOWFRLLGVCQAXMN-UHFFFAOYSA-N
MW279.33 g/mol
LogP1.05
Rot. Bonds5

About 4-(cyclopropylsulfonylamino)-2-ethyl-1-fluorocyclopentane-1-carboxylic acid

4-(cyclopropylsulfonylamino)-2-ethyl-1-fluorocyclopentane-1-carboxylic acid (PubChem CID 141383365) has the molecular formula C11H18FNO4S and a molecular weight of 279.33 g/mol. Its IUPAC name is 4-(cyclopropylsulfonylamino)-2-ethyl-1-fluorocyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-(cyclopropylsulfonylamino)-2-ethyl-1-fluorocyclopentane-1-carboxylic acid
PubChem CID141383365
Molecular FormulaC11H18FNO4S
Molecular Weight279.33 g/mol
Exact Mass279.09
IUPAC Name4-(cyclopropylsulfonylamino)-2-ethyl-1-fluorocyclopentane-1-carboxylic acid
SMILESCCC1CC(NS(=O)(=O)C2CC2)CC1(F)C(=O)O
InChIInChI=1S/C11H18FNO4S/c1-2-7-5-8(6-11(7,12)10(14)15)13-18(16,17)9-3-4-9/h7-9,13H,2-6H2,1H3,(H,14,15)
InChIKeyOWFRLLGVCQAXMN-UHFFFAOYSA-N
XLogP1.05
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylsulfonylamino)-2-ethyl-1-fluorocyclopentane-1-carboxylic acid?
The IUPAC name of 4-(cyclopropylsulfonylamino)-2-ethyl-1-fluorocyclopentane-1-carboxylic acid (CID 141383365) is 4-(cyclopropylsulfonylamino)-2-ethyl-1-fluorocyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-(cyclopropylsulfonylamino)-2-ethyl-1-fluorocyclopentane-1-carboxylic acid?
The canonical SMILES for 4-(cyclopropylsulfonylamino)-2-ethyl-1-fluorocyclopentane-1-carboxylic acid is CCC1CC(NS(=O)(=O)C2CC2)CC1(F)C(=O)O.
What is the InChIKey of 4-(cyclopropylsulfonylamino)-2-ethyl-1-fluorocyclopentane-1-carboxylic acid?
The InChIKey is OWFRLLGVCQAXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO4S/c1-2-7-5-8(6-11(7,12)10(14)15)13-18(16,17)9-3-4-9/h7-9,13H,2-6H2,1H3,(H,14,15).
What are the key properties of 4-(cyclopropylsulfonylamino)-2-ethyl-1-fluorocyclopentane-1-carboxylic acid?
4-(cyclopropylsulfonylamino)-2-ethyl-1-fluorocyclopentane-1-carboxylic acid has a molecular weight of 279.33 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylsulfonylamino)-2-ethyl-1-fluorocyclopentane-1-carboxylic acid is sourced from PubChem (CID 141383365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).