1-fluoro-N-[(3S)-pyrrolidin-3-yl]ethanesulfonamide

C6H13FN2O2S — CID 171651219

IUPAC1-fluoro-N-[(3S)-pyrrolidin-3-yl]ethanesulfonamide
SMILESCC(F)S(=O)(=O)N[C@H]1CCNC1
InChIInChI=1S/C6H13FN2O2S/c1-5(7)12(10,11)9-6-2-3-8-4-6/h5-6,8-9H,2-4H2,1H3/t5?,6-/m0/s1
InChIKeySACVQWHSRIEJGR-GDVGLLTNSA-N
MW196.25 g/mol
LogP-0.42
Rot. Bonds3

About 1-fluoro-N-[(3S)-pyrrolidin-3-yl]ethanesulfonamide

1-fluoro-N-[(3S)-pyrrolidin-3-yl]ethanesulfonamide (PubChem CID 171651219) has the molecular formula C6H13FN2O2S and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-fluoro-N-[(3S)-pyrrolidin-3-yl]ethanesulfonamide.

Molecular Properties

Compound Name1-fluoro-N-[(3S)-pyrrolidin-3-yl]ethanesulfonamide
PubChem CID171651219
Molecular FormulaC6H13FN2O2S
Molecular Weight196.25 g/mol
Exact Mass196.07
IUPAC Name1-fluoro-N-[(3S)-pyrrolidin-3-yl]ethanesulfonamide
SMILESCC(F)S(=O)(=O)N[C@H]1CCNC1
InChIInChI=1S/C6H13FN2O2S/c1-5(7)12(10,11)9-6-2-3-8-4-6/h5-6,8-9H,2-4H2,1H3/t5?,6-/m0/s1
InChIKeySACVQWHSRIEJGR-GDVGLLTNSA-N
XLogP-0.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-[(3S)-pyrrolidin-3-yl]ethanesulfonamide?
The IUPAC name of 1-fluoro-N-[(3S)-pyrrolidin-3-yl]ethanesulfonamide (CID 171651219) is 1-fluoro-N-[(3S)-pyrrolidin-3-yl]ethanesulfonamide.
What is the SMILES notation for 1-fluoro-N-[(3S)-pyrrolidin-3-yl]ethanesulfonamide?
The canonical SMILES for 1-fluoro-N-[(3S)-pyrrolidin-3-yl]ethanesulfonamide is CC(F)S(=O)(=O)N[C@H]1CCNC1.
What is the InChIKey of 1-fluoro-N-[(3S)-pyrrolidin-3-yl]ethanesulfonamide?
The InChIKey is SACVQWHSRIEJGR-GDVGLLTNSA-N. The full InChI is InChI=1S/C6H13FN2O2S/c1-5(7)12(10,11)9-6-2-3-8-4-6/h5-6,8-9H,2-4H2,1H3/t5?,6-/m0/s1.
What are the key properties of 1-fluoro-N-[(3S)-pyrrolidin-3-yl]ethanesulfonamide?
1-fluoro-N-[(3S)-pyrrolidin-3-yl]ethanesulfonamide has a molecular weight of 196.25 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-[(3S)-pyrrolidin-3-yl]ethanesulfonamide is sourced from PubChem (CID 171651219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).