3-(propylsulfonylamino)cyclopentane-1-carboxylic acid

C9H17NO4S — CID 66030367

IUPAC3-(propylsulfonylamino)cyclopentane-1-carboxylic acid
SMILESCCCS(=O)(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C9H17NO4S/c1-2-5-15(13,14)10-8-4-3-7(6-8)9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyXSPPMBLDBYHSMT-UHFFFAOYSA-N
MW235.30 g/mol
LogP0.57
Rot. Bonds5

About 3-(propylsulfonylamino)cyclopentane-1-carboxylic acid

3-(propylsulfonylamino)cyclopentane-1-carboxylic acid (PubChem CID 66030367) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is 3-(propylsulfonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(propylsulfonylamino)cyclopentane-1-carboxylic acid
PubChem CID66030367
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name3-(propylsulfonylamino)cyclopentane-1-carboxylic acid
SMILESCCCS(=O)(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C9H17NO4S/c1-2-5-15(13,14)10-8-4-3-7(6-8)9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyXSPPMBLDBYHSMT-UHFFFAOYSA-N
XLogP0.57
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(propylsulfonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(propylsulfonylamino)cyclopentane-1-carboxylic acid (CID 66030367) is 3-(propylsulfonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(propylsulfonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(propylsulfonylamino)cyclopentane-1-carboxylic acid is CCCS(=O)(=O)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-(propylsulfonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is XSPPMBLDBYHSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-2-5-15(13,14)10-8-4-3-7(6-8)9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12).
What are the key properties of 3-(propylsulfonylamino)cyclopentane-1-carboxylic acid?
3-(propylsulfonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 235.30 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylsulfonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66030367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).