(3S)-3-hydroxypyrrolidine-1-sulfonyl fluoride

C4H8FNO3S — CID 135564450

IUPAC(3S)-3-hydroxypyrrolidine-1-sulfonyl fluoride
SMILESO=S(=O)(F)N1CC[C@H](O)C1
InChIInChI=1S/C4H8FNO3S/c5-10(8,9)6-2-1-4(7)3-6/h4,7H,1-3H2/t4-/m0/s1
InChIKeyZVNFFXDFDRIAOV-BYPYZUCNSA-N
MW169.18 g/mol
LogP-0.73
Rot. Bonds1

About (3S)-3-hydroxypyrrolidine-1-sulfonyl fluoride

(3S)-3-hydroxypyrrolidine-1-sulfonyl fluoride (PubChem CID 135564450) has the molecular formula C4H8FNO3S and a molecular weight of 169.18 g/mol. Its IUPAC name is (3S)-3-hydroxypyrrolidine-1-sulfonyl fluoride.

Molecular Properties

Compound Name(3S)-3-hydroxypyrrolidine-1-sulfonyl fluoride
PubChem CID135564450
Molecular FormulaC4H8FNO3S
Molecular Weight169.18 g/mol
Exact Mass169.02
IUPAC Name(3S)-3-hydroxypyrrolidine-1-sulfonyl fluoride
SMILESO=S(=O)(F)N1CC[C@H](O)C1
InChIInChI=1S/C4H8FNO3S/c5-10(8,9)6-2-1-4(7)3-6/h4,7H,1-3H2/t4-/m0/s1
InChIKeyZVNFFXDFDRIAOV-BYPYZUCNSA-N
XLogP-0.73
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxypyrrolidine-1-sulfonyl fluoride?
The IUPAC name of (3S)-3-hydroxypyrrolidine-1-sulfonyl fluoride (CID 135564450) is (3S)-3-hydroxypyrrolidine-1-sulfonyl fluoride.
What is the SMILES notation for (3S)-3-hydroxypyrrolidine-1-sulfonyl fluoride?
The canonical SMILES for (3S)-3-hydroxypyrrolidine-1-sulfonyl fluoride is O=S(=O)(F)N1CC[C@H](O)C1.
What is the InChIKey of (3S)-3-hydroxypyrrolidine-1-sulfonyl fluoride?
The InChIKey is ZVNFFXDFDRIAOV-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H8FNO3S/c5-10(8,9)6-2-1-4(7)3-6/h4,7H,1-3H2/t4-/m0/s1.
What are the key properties of (3S)-3-hydroxypyrrolidine-1-sulfonyl fluoride?
(3S)-3-hydroxypyrrolidine-1-sulfonyl fluoride has a molecular weight of 169.18 g/mol, XLogP of -0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxypyrrolidine-1-sulfonyl fluoride is sourced from PubChem (CID 135564450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).