(3R)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid

C8H16FNO3S — CID 11658641

IUPAC(3R)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid
SMILESN[C@@H](C(F)CS(=O)(=O)O)C1CCCC1
InChIInChI=1S/C8H16FNO3S/c9-7(5-14(11,12)13)8(10)6-3-1-2-4-6/h6-8H,1-5,10H2,(H,11,12,13)/t7?,8-/m1/s1
InChIKeyUIDLULHCHLKQGQ-BRFYHDHCSA-N
MW225.28 g/mol
LogP0.73
Rot. Bonds4

About (3R)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid

(3R)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid (PubChem CID 11658641) has the molecular formula C8H16FNO3S and a molecular weight of 225.28 g/mol. Its IUPAC name is (3R)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid.

Molecular Properties

Compound Name(3R)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid
PubChem CID11658641
Molecular FormulaC8H16FNO3S
Molecular Weight225.28 g/mol
Exact Mass225.08
IUPAC Name(3R)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid
SMILESN[C@@H](C(F)CS(=O)(=O)O)C1CCCC1
InChIInChI=1S/C8H16FNO3S/c9-7(5-14(11,12)13)8(10)6-3-1-2-4-6/h6-8H,1-5,10H2,(H,11,12,13)/t7?,8-/m1/s1
InChIKeyUIDLULHCHLKQGQ-BRFYHDHCSA-N
XLogP0.73
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 50.73
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

2-Amino-2-cyclohexylethanesulfonic acid
CID 10798377
3-(3-Aminocyclohexyl)propane-1-sulfonic acid
CID 20365848
3-Amino-3-cyclohexylpropane-1-sulfonic acid
CID 21666758
(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
3-Amino-3-cyclopentyl-1,1-difluoropropane-1-sulfonic acid
CID 11543262
(3S)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid
CID 11557641
(2R,3R)-3-amino-3-cyclohexyl-2-fluoropropane-1-sulfonic acid
CID 11564958
(3S)-3-amino-3-cyclohexyl-2-fluoropropane-1-sulfonic acid
CID 11579592
3-Amino-3-cyclohexyl-2-fluoropropane-1-sulfonic acid
CID 11608402
(3S)-3-amino-3-cyclopentyl-1,1-difluoropropane-1-sulfonic acid
CID 11630117

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid?
The IUPAC name of (3R)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid (CID 11658641) is (3R)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid.
What is the SMILES notation for (3R)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid?
The canonical SMILES for (3R)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid is N[C@@H](C(F)CS(=O)(=O)O)C1CCCC1.
What is the InChIKey of (3R)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid?
The InChIKey is UIDLULHCHLKQGQ-BRFYHDHCSA-N. The full InChI is InChI=1S/C8H16FNO3S/c9-7(5-14(11,12)13)8(10)6-3-1-2-4-6/h6-8H,1-5,10H2,(H,11,12,13)/t7?,8-/m1/s1.
What are the key properties of (3R)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid?
(3R)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid has a molecular weight of 225.28 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid is sourced from PubChem (CID 11658641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).