2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]ethanesulfonamide

C7H13F3N2O2S — CID 59651766

IUPAC2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]ethanesulfonamide
SMILESO=S(=O)(CC(F)(F)F)NC[C@@H]1CCCN1
InChIInChI=1S/C7H13F3N2O2S/c8-7(9,10)5-15(13,14)12-4-6-2-1-3-11-6/h6,11-12H,1-5H2/t6-/m0/s1
InChIKeyRKRZOSHUSFNFKE-LURJTMIESA-N
MW246.25 g/mol
LogP0.22
Rot. Bonds4

About 2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]ethanesulfonamide

2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]ethanesulfonamide (PubChem CID 59651766) has the molecular formula C7H13F3N2O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]ethanesulfonamide
PubChem CID59651766
Molecular FormulaC7H13F3N2O2S
Molecular Weight246.25 g/mol
Exact Mass246.06
IUPAC Name2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]ethanesulfonamide
SMILESO=S(=O)(CC(F)(F)F)NC[C@@H]1CCCN1
InChIInChI=1S/C7H13F3N2O2S/c8-7(9,10)5-15(13,14)12-4-6-2-1-3-11-6/h6,11-12H,1-5H2/t6-/m0/s1
InChIKeyRKRZOSHUSFNFKE-LURJTMIESA-N
XLogP0.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]ethanesulfonamide?
The IUPAC name of 2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]ethanesulfonamide (CID 59651766) is 2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]ethanesulfonamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]ethanesulfonamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]ethanesulfonamide is O=S(=O)(CC(F)(F)F)NC[C@@H]1CCCN1.
What is the InChIKey of 2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]ethanesulfonamide?
The InChIKey is RKRZOSHUSFNFKE-LURJTMIESA-N. The full InChI is InChI=1S/C7H13F3N2O2S/c8-7(9,10)5-15(13,14)12-4-6-2-1-3-11-6/h6,11-12H,1-5H2/t6-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]ethanesulfonamide?
2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]ethanesulfonamide has a molecular weight of 246.25 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 59651766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).