3-amino-2-fluoropropane-1-sulfonic acid

C3H8FNO3S — CID 58691965

IUPAC3-amino-2-fluoropropane-1-sulfonic acid
SMILESNCC(F)CS(=O)(=O)O
InChIInChI=1S/C3H8FNO3S/c4-3(1-5)2-9(6,7)8/h3H,1-2,5H2,(H,6,7,8)
InChIKeyMCDCCHYMMPCCMC-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.83
Rot. Bonds3

About 3-amino-2-fluoropropane-1-sulfonic acid

3-amino-2-fluoropropane-1-sulfonic acid (PubChem CID 58691965) has the molecular formula C3H8FNO3S and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-amino-2-fluoropropane-1-sulfonic acid.

Molecular Properties

Compound Name3-amino-2-fluoropropane-1-sulfonic acid
PubChem CID58691965
Molecular FormulaC3H8FNO3S
Molecular Weight157.17 g/mol
Exact Mass157.02
IUPAC Name3-amino-2-fluoropropane-1-sulfonic acid
SMILESNCC(F)CS(=O)(=O)O
InChIInChI=1S/C3H8FNO3S/c4-3(1-5)2-9(6,7)8/h3H,1-2,5H2,(H,6,7,8)
InChIKeyMCDCCHYMMPCCMC-UHFFFAOYSA-N
XLogP-0.83
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.83
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

Taurine
CID 1123
Tramiprosate
CID 1646
Homohypotaurine
CID 193060
3-Azaniumylpropane-1-sulfonate
CID 6991996
2-Amino-1-propanesulfonic acid
CID 110955
Sodium;3-aminopropane-1-sulfonic acid;hydrate
CID 25163030
3-Aminopropane-1-sulfonate
CID 3578030
2-(~15~N)Aminoethane-1-sulfonic acid
CID 12359084
Taurine Hydrochloride
CID 22174439
4-Aminobutanesulfonic acid
CID 3014806
L-Homocysteine sulfonic acid
CID 21252279
Sodium 3-aminopropane-1-sulfonic acid
CID 53429901

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-fluoropropane-1-sulfonic acid?
The IUPAC name of 3-amino-2-fluoropropane-1-sulfonic acid (CID 58691965) is 3-amino-2-fluoropropane-1-sulfonic acid.
What is the SMILES notation for 3-amino-2-fluoropropane-1-sulfonic acid?
The canonical SMILES for 3-amino-2-fluoropropane-1-sulfonic acid is NCC(F)CS(=O)(=O)O.
What is the InChIKey of 3-amino-2-fluoropropane-1-sulfonic acid?
The InChIKey is MCDCCHYMMPCCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8FNO3S/c4-3(1-5)2-9(6,7)8/h3H,1-2,5H2,(H,6,7,8).
What are the key properties of 3-amino-2-fluoropropane-1-sulfonic acid?
3-amino-2-fluoropropane-1-sulfonic acid has a molecular weight of 157.17 g/mol, XLogP of -0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-fluoropropane-1-sulfonic acid is sourced from PubChem (CID 58691965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).