(2S,4S)-4-fluoro-2-(methoxymethyl)pyrrolidine-1-sulfonamide

C6H13FN2O3S — CID 130647418

IUPAC(2S,4S)-4-fluoro-2-(methoxymethyl)pyrrolidine-1-sulfonamide
SMILESCOC[C@@H]1C[C@H](F)CN1S(N)(=O)=O
InChIInChI=1S/C6H13FN2O3S/c1-12-4-6-2-5(7)3-9(6)13(8,10)11/h5-6H,2-4H2,1H3,(H2,8,10,11)/t5-,6-/m0/s1
InChIKeyPWOIUEXJLQCKAV-WDSKDSINSA-N
MW212.25 g/mol
LogP-0.75
Rot. Bonds3

About (2S,4S)-4-fluoro-2-(methoxymethyl)pyrrolidine-1-sulfonamide

(2S,4S)-4-fluoro-2-(methoxymethyl)pyrrolidine-1-sulfonamide (PubChem CID 130647418) has the molecular formula C6H13FN2O3S and a molecular weight of 212.25 g/mol. Its IUPAC name is (2S,4S)-4-fluoro-2-(methoxymethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(2S,4S)-4-fluoro-2-(methoxymethyl)pyrrolidine-1-sulfonamide
PubChem CID130647418
Molecular FormulaC6H13FN2O3S
Molecular Weight212.25 g/mol
Exact Mass212.06
IUPAC Name(2S,4S)-4-fluoro-2-(methoxymethyl)pyrrolidine-1-sulfonamide
SMILESCOC[C@@H]1C[C@H](F)CN1S(N)(=O)=O
InChIInChI=1S/C6H13FN2O3S/c1-12-4-6-2-5(7)3-9(6)13(8,10)11/h5-6H,2-4H2,1H3,(H2,8,10,11)/t5-,6-/m0/s1
InChIKeyPWOIUEXJLQCKAV-WDSKDSINSA-N
XLogP-0.75
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(methoxymethyl)pyrrolidine-1-sulfonamide
CID 126742603
(2S,4S)-1-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine
CID 131036688
3-(methoxymethyl)azetidine-1-sulfonamide
CID 167526411
tert-butyl 4-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 25001212
(3R)-3-(methoxymethyl)pyrrolidine-1-sulfonamide
CID 96567876
[(2S,4S)-4-fluoro-1-[4-(2-methoxyethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol
CID 128977236
(2S,4R)-1-(benzenesulfonyl)-4-methoxy-2-(methoxymethyl)pyrrolidine
CID 128975294
(2S,4S)-1-(3,4-difluorophenyl)sulfonyl-4-methoxy-2-(methoxymethyl)pyrrolidine
CID 128975195
3-fluoroazetidine-1-sulfonamide
CID 70347983
[(2S,4S)-4-fluoro-1-(4-methoxy-2,3-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 128977252
1-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-2-propoxyethanone
CID 128988534
(3R,5S)-1-amino-5-(methoxymethyl)pyrrolidin-3-ol
CID 45078936

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-fluoro-2-(methoxymethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of (2S,4S)-4-fluoro-2-(methoxymethyl)pyrrolidine-1-sulfonamide (CID 130647418) is (2S,4S)-4-fluoro-2-(methoxymethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for (2S,4S)-4-fluoro-2-(methoxymethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for (2S,4S)-4-fluoro-2-(methoxymethyl)pyrrolidine-1-sulfonamide is COC[C@@H]1C[C@H](F)CN1S(N)(=O)=O.
What is the InChIKey of (2S,4S)-4-fluoro-2-(methoxymethyl)pyrrolidine-1-sulfonamide?
The InChIKey is PWOIUEXJLQCKAV-WDSKDSINSA-N. The full InChI is InChI=1S/C6H13FN2O3S/c1-12-4-6-2-5(7)3-9(6)13(8,10)11/h5-6H,2-4H2,1H3,(H2,8,10,11)/t5-,6-/m0/s1.
What are the key properties of (2S,4S)-4-fluoro-2-(methoxymethyl)pyrrolidine-1-sulfonamide?
(2S,4S)-4-fluoro-2-(methoxymethyl)pyrrolidine-1-sulfonamide has a molecular weight of 212.25 g/mol, XLogP of -0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-fluoro-2-(methoxymethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 130647418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).