(3S,4S)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-sulfonamide

C5H11FN2O3S — CID 122536448

IUPAC(3S,4S)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-sulfonamide
SMILESCNS(=O)(=O)N1C[C@H](O)[C@@H](F)C1
InChIInChI=1S/C5H11FN2O3S/c1-7-12(10,11)8-2-4(6)5(9)3-8/h4-5,7,9H,2-3H2,1H3/t4-,5-/m0/s1
InChIKeyCAAOYDHKBPXBAD-WHFBIAKZSA-N
MW198.22 g/mol
LogP-1.53
Rot. Bonds2

About (3S,4S)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-sulfonamide

(3S,4S)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-sulfonamide (PubChem CID 122536448) has the molecular formula C5H11FN2O3S and a molecular weight of 198.22 g/mol. Its IUPAC name is (3S,4S)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(3S,4S)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-sulfonamide
PubChem CID122536448
Molecular FormulaC5H11FN2O3S
Molecular Weight198.22 g/mol
Exact Mass198.05
IUPAC Name(3S,4S)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-sulfonamide
SMILESCNS(=O)(=O)N1C[C@H](O)[C@@H](F)C1
InChIInChI=1S/C5H11FN2O3S/c1-7-12(10,11)8-2-4(6)5(9)3-8/h4-5,7,9H,2-3H2,1H3/t4-,5-/m0/s1
InChIKeyCAAOYDHKBPXBAD-WHFBIAKZSA-N
XLogP-1.53
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-sulfonamide?
The IUPAC name of (3S,4S)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-sulfonamide (CID 122536448) is (3S,4S)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-sulfonamide.
What is the SMILES notation for (3S,4S)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-sulfonamide?
The canonical SMILES for (3S,4S)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-sulfonamide is CNS(=O)(=O)N1C[C@H](O)[C@@H](F)C1.
What is the InChIKey of (3S,4S)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-sulfonamide?
The InChIKey is CAAOYDHKBPXBAD-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H11FN2O3S/c1-7-12(10,11)8-2-4(6)5(9)3-8/h4-5,7,9H,2-3H2,1H3/t4-,5-/m0/s1.
What are the key properties of (3S,4S)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-sulfonamide?
(3S,4S)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-sulfonamide has a molecular weight of 198.22 g/mol, XLogP of -1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 122536448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).