(3S,4S)-N-ethyl-3-fluoro-4-hydroxypyrrolidine-1-sulfonamide

C6H13FN2O3S — CID 138583574

IUPAC(3S,4S)-N-ethyl-3-fluoro-4-hydroxypyrrolidine-1-sulfonamide
SMILESCCNS(=O)(=O)N1C[C@H](O)[C@@H](F)C1
InChIInChI=1S/C6H13FN2O3S/c1-2-8-13(11,12)9-3-5(7)6(10)4-9/h5-6,8,10H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyCEOOWUCHYIZCLP-WDSKDSINSA-N
MW212.25 g/mol
LogP-1.14
Rot. Bonds3

About (3S,4S)-N-ethyl-3-fluoro-4-hydroxypyrrolidine-1-sulfonamide

(3S,4S)-N-ethyl-3-fluoro-4-hydroxypyrrolidine-1-sulfonamide (PubChem CID 138583574) has the molecular formula C6H13FN2O3S and a molecular weight of 212.25 g/mol. Its IUPAC name is (3S,4S)-N-ethyl-3-fluoro-4-hydroxypyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(3S,4S)-N-ethyl-3-fluoro-4-hydroxypyrrolidine-1-sulfonamide
PubChem CID138583574
Molecular FormulaC6H13FN2O3S
Molecular Weight212.25 g/mol
Exact Mass212.06
IUPAC Name(3S,4S)-N-ethyl-3-fluoro-4-hydroxypyrrolidine-1-sulfonamide
SMILESCCNS(=O)(=O)N1C[C@H](O)[C@@H](F)C1
InChIInChI=1S/C6H13FN2O3S/c1-2-8-13(11,12)9-3-5(7)6(10)4-9/h5-6,8,10H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyCEOOWUCHYIZCLP-WDSKDSINSA-N
XLogP-1.14
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-ethyl-3-fluoro-4-hydroxypyrrolidine-1-sulfonamide?
The IUPAC name of (3S,4S)-N-ethyl-3-fluoro-4-hydroxypyrrolidine-1-sulfonamide (CID 138583574) is (3S,4S)-N-ethyl-3-fluoro-4-hydroxypyrrolidine-1-sulfonamide.
What is the SMILES notation for (3S,4S)-N-ethyl-3-fluoro-4-hydroxypyrrolidine-1-sulfonamide?
The canonical SMILES for (3S,4S)-N-ethyl-3-fluoro-4-hydroxypyrrolidine-1-sulfonamide is CCNS(=O)(=O)N1C[C@H](O)[C@@H](F)C1.
What is the InChIKey of (3S,4S)-N-ethyl-3-fluoro-4-hydroxypyrrolidine-1-sulfonamide?
The InChIKey is CEOOWUCHYIZCLP-WDSKDSINSA-N. The full InChI is InChI=1S/C6H13FN2O3S/c1-2-8-13(11,12)9-3-5(7)6(10)4-9/h5-6,8,10H,2-4H2,1H3/t5-,6-/m0/s1.
What are the key properties of (3S,4S)-N-ethyl-3-fluoro-4-hydroxypyrrolidine-1-sulfonamide?
(3S,4S)-N-ethyl-3-fluoro-4-hydroxypyrrolidine-1-sulfonamide has a molecular weight of 212.25 g/mol, XLogP of -1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-ethyl-3-fluoro-4-hydroxypyrrolidine-1-sulfonamide is sourced from PubChem (CID 138583574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).