2-(butylsulfonylamino)cyclopentane-1-carboxylic acid

C10H19NO4S — CID 64816621

IUPAC2-(butylsulfonylamino)cyclopentane-1-carboxylic acid
SMILESCCCCS(=O)(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C10H19NO4S/c1-2-3-7-16(14,15)11-9-6-4-5-8(9)10(12)13/h8-9,11H,2-7H2,1H3,(H,12,13)
InChIKeyFOXXJMIBQHTHFO-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.96
Rot. Bonds6

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

2-(butylsulfonylamino)cyclopentane-1-carboxylic acid (PubChem CID 64816621) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-(butylsulfonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(butylsulfonylamino)cyclopentane-1-carboxylic acid
PubChem CID64816621
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name2-(butylsulfonylamino)cyclopentane-1-carboxylic acid
SMILESCCCCS(=O)(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C10H19NO4S/c1-2-3-7-16(14,15)11-9-6-4-5-8(9)10(12)13/h8-9,11H,2-7H2,1H3,(H,12,13)
InChIKeyFOXXJMIBQHTHFO-UHFFFAOYSA-N
XLogP0.96
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(butylsulfonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(butylsulfonylamino)cyclopentane-1-carboxylic acid (CID 64816621) is 2-(butylsulfonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(butylsulfonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(butylsulfonylamino)cyclopentane-1-carboxylic acid is CCCCS(=O)(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-(butylsulfonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is FOXXJMIBQHTHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-2-3-7-16(14,15)11-9-6-4-5-8(9)10(12)13/h8-9,11H,2-7H2,1H3,(H,12,13).
What are the key properties of 2-(butylsulfonylamino)cyclopentane-1-carboxylic acid?
2-(butylsulfonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 249.33 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylsulfonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64816621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).