Pyrrolidine-3-sulfonyl fluoride

C4H8FNO2S — CID 130642641

IUPACpyrrolidine-3-sulfonyl fluoride
SMILESC1CNCC1S(=O)(=O)F
InChIInChI=1S/C4H8FNO2S/c5-9(7,8)4-1-2-6-3-4/h4,6H,1-3H2
InChIKeyFPSAZTFAOJJQII-UHFFFAOYSA-N
MW153.18 g/mol
LogP-0.10
Rot. Bonds1

About Pyrrolidine-3-sulfonyl fluoride

Pyrrolidine-3-sulfonyl fluoride (PubChem CID 130642641) has the molecular formula C4H8FNO2S and a molecular weight of 153.18 g/mol. Its IUPAC name is pyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound NamePyrrolidine-3-sulfonyl fluoride
PubChem CID130642641
Molecular FormulaC4H8FNO2S
Molecular Weight153.18 g/mol
Exact Mass153.03
IUPAC Namepyrrolidine-3-sulfonyl fluoride
SMILESC1CNCC1S(=O)(=O)F
InChIInChI=1S/C4H8FNO2S/c5-9(7,8)4-1-2-6-3-4/h4,6H,1-3H2
InChIKeyFPSAZTFAOJJQII-UHFFFAOYSA-N
XLogP-0.10
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity183

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Pyrrolidine-1-sulfonyl)ethanamine hydrochloride
CID 45074879
3-(Methylsulfonyl)pyrrolidine
CID 3419356
Pyrrolidine-3-sulfonamide
CID 45792639
Pyrrolidine-3-sulfonamide hydrochloride
CID 155858501
2-(Pyrrolidin-1-ylsulfonyl)ethanamine
CID 1133629
N-ethylpyrrolidine-3-sulfonamide
CID 65419394
(Pyrrolidin-3-yl)methanesulfonyl fluoride hydrochloride
CID 132327882
Pyrrolidine-3-sulfonyl fluoride hydrochloride
CID 132344065
(3S)-pyrrolidine-3-sulfonamidehydrochloride
CID 165653342
(3R)-pyrrolidine-3-sulfonamidehydrochloride
CID 165710021
(Pyrrolidin-2-yl)methanesulfonyl fluoride hydrochloride
CID 165750927
(3S)-N-methylpyrrolidine-3-sulfonamide hydrochloride
CID 165980768

Frequently Asked Questions

What is the IUPAC name of Pyrrolidine-3-sulfonyl fluoride?
The IUPAC name of Pyrrolidine-3-sulfonyl fluoride (CID 130642641) is pyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for Pyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for Pyrrolidine-3-sulfonyl fluoride is C1CNCC1S(=O)(=O)F.
What is the InChIKey of Pyrrolidine-3-sulfonyl fluoride?
The InChIKey is FPSAZTFAOJJQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNO2S/c5-9(7,8)4-1-2-6-3-4/h4,6H,1-3H2.
What are the key properties of Pyrrolidine-3-sulfonyl fluoride?
Pyrrolidine-3-sulfonyl fluoride has a molecular weight of 153.18 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Pyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 130642641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).