3-amino-3-cyclopentyl-1,1-difluoropropane-1-sulfonic acid

C8H15F2NO3S — CID 11543262

IUPAC3-amino-3-cyclopentyl-1,1-difluoropropane-1-sulfonic acid
SMILESNC(CC(F)(F)S(=O)(=O)O)C1CCCC1
InChIInChI=1S/C8H15F2NO3S/c9-8(10,15(12,13)14)5-7(11)6-3-1-2-4-6/h6-7H,1-5,11H2,(H,12,13,14)
InChIKeyKADLGNDUFTVYEG-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.37
Rot. Bonds4

About 3-amino-3-cyclopentyl-1,1-difluoropropane-1-sulfonic acid

3-amino-3-cyclopentyl-1,1-difluoropropane-1-sulfonic acid (PubChem CID 11543262) has the molecular formula C8H15F2NO3S and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-amino-3-cyclopentyl-1,1-difluoropropane-1-sulfonic acid.

Molecular Properties

Compound Name3-amino-3-cyclopentyl-1,1-difluoropropane-1-sulfonic acid
PubChem CID11543262
Molecular FormulaC8H15F2NO3S
Molecular Weight243.27 g/mol
Exact Mass243.07
IUPAC Name3-amino-3-cyclopentyl-1,1-difluoropropane-1-sulfonic acid
SMILESNC(CC(F)(F)S(=O)(=O)O)C1CCCC1
InChIInChI=1S/C8H15F2NO3S/c9-8(10,15(12,13)14)5-7(11)6-3-1-2-4-6/h6-7H,1-5,11H2,(H,12,13,14)
InChIKeyKADLGNDUFTVYEG-UHFFFAOYSA-N
XLogP1.37
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-amino-3-cyclopentyl-2,2-difluoropropane-1-sulfonic acid
CID 11492464
(2S)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid
CID 11514107
(3R)-3-amino-3-cyclohexyl-2,2-difluoropropane-1-sulfonic acid
CID 11521729
(3S)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid
CID 11557641
(3S)-3-amino-3-cyclopentyl-1,1-difluoropropane-1-sulfonic acid
CID 11630117
(2R,3R)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid
CID 11644268
3-Amino-3-cyclohexyl-1,1-difluoropropane-1-sulfonic acid
CID 11644581
(3R)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid
CID 11658641
3-Amino-3-cyclopentyl-2,2-difluoropropane-1-sulfonic acid
CID 11665923
(3S)-3-amino-3-cyclopentyl-2,2-difluoropropane-1-sulfonic acid
CID 11665924
(2S,3R)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid
CID 11673036
(2S,3S)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid
CID 11680204

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopentyl-1,1-difluoropropane-1-sulfonic acid?
The IUPAC name of 3-amino-3-cyclopentyl-1,1-difluoropropane-1-sulfonic acid (CID 11543262) is 3-amino-3-cyclopentyl-1,1-difluoropropane-1-sulfonic acid.
What is the SMILES notation for 3-amino-3-cyclopentyl-1,1-difluoropropane-1-sulfonic acid?
The canonical SMILES for 3-amino-3-cyclopentyl-1,1-difluoropropane-1-sulfonic acid is NC(CC(F)(F)S(=O)(=O)O)C1CCCC1.
What is the InChIKey of 3-amino-3-cyclopentyl-1,1-difluoropropane-1-sulfonic acid?
The InChIKey is KADLGNDUFTVYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO3S/c9-8(10,15(12,13)14)5-7(11)6-3-1-2-4-6/h6-7H,1-5,11H2,(H,12,13,14).
What are the key properties of 3-amino-3-cyclopentyl-1,1-difluoropropane-1-sulfonic acid?
3-amino-3-cyclopentyl-1,1-difluoropropane-1-sulfonic acid has a molecular weight of 243.27 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopentyl-1,1-difluoropropane-1-sulfonic acid is sourced from PubChem (CID 11543262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).