(3S,4S)-3-hydroxy-4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]pyrrolidine

C7H14F3N3O3S — CID 114088857

IUPAC(3S,4S)-3-hydroxy-4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]pyrrolidine
SMILESCN([C@H]1CNC[C@@H]1O)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H14F3N3O3S/c1-13(5-2-11-3-6(5)14)17(15,16)12-4-7(8,9)10/h5-6,11-12,14H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyCWTTYPMTYXORAP-WDSKDSINSA-N
MW277.27 g/mol
LogP-1.35
Rot. Bonds4

About (3S,4S)-3-hydroxy-4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]pyrrolidine

(3S,4S)-3-hydroxy-4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]pyrrolidine (PubChem CID 114088857) has the molecular formula C7H14F3N3O3S and a molecular weight of 277.27 g/mol. Its IUPAC name is (3S,4S)-3-hydroxy-4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]pyrrolidine.

Molecular Properties

Compound Name(3S,4S)-3-hydroxy-4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]pyrrolidine
PubChem CID114088857
Molecular FormulaC7H14F3N3O3S
Molecular Weight277.27 g/mol
Exact Mass277.07
IUPAC Name(3S,4S)-3-hydroxy-4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]pyrrolidine
SMILESCN([C@H]1CNC[C@@H]1O)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H14F3N3O3S/c1-13(5-2-11-3-6(5)14)17(15,16)12-4-7(8,9)10/h5-6,11-12,14H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyCWTTYPMTYXORAP-WDSKDSINSA-N
XLogP-1.35
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-hydroxy-4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]pyrrolidine?
The IUPAC name of (3S,4S)-3-hydroxy-4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]pyrrolidine (CID 114088857) is (3S,4S)-3-hydroxy-4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]pyrrolidine.
What is the SMILES notation for (3S,4S)-3-hydroxy-4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]pyrrolidine?
The canonical SMILES for (3S,4S)-3-hydroxy-4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]pyrrolidine is CN([C@H]1CNC[C@@H]1O)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of (3S,4S)-3-hydroxy-4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]pyrrolidine?
The InChIKey is CWTTYPMTYXORAP-WDSKDSINSA-N. The full InChI is InChI=1S/C7H14F3N3O3S/c1-13(5-2-11-3-6(5)14)17(15,16)12-4-7(8,9)10/h5-6,11-12,14H,2-4H2,1H3/t5-,6-/m0/s1.
What are the key properties of (3S,4S)-3-hydroxy-4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]pyrrolidine?
(3S,4S)-3-hydroxy-4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]pyrrolidine has a molecular weight of 277.27 g/mol, XLogP of -1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-hydroxy-4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]pyrrolidine is sourced from PubChem (CID 114088857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).