(3S,4S)-N,N-dimethyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide

C7H13F3N2O2S — CID 100756960

IUPAC(3S,4S)-N,N-dimethyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide
SMILESCN(C)S(=O)(=O)[C@@H]1CNC[C@H]1C(F)(F)F
InChIInChI=1S/C7H13F3N2O2S/c1-12(2)15(13,14)6-4-11-3-5(6)7(8,9)10/h5-6,11H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyYYUGNJGRBQFONV-PHDIDXHHSA-N
MW246.25 g/mol
LogP0.03
Rot. Bonds2

About (3S,4S)-N,N-dimethyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide

(3S,4S)-N,N-dimethyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide (PubChem CID 100756960) has the molecular formula C7H13F3N2O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is (3S,4S)-N,N-dimethyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name(3S,4S)-N,N-dimethyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide
PubChem CID100756960
Molecular FormulaC7H13F3N2O2S
Molecular Weight246.25 g/mol
Exact Mass246.06
IUPAC Name(3S,4S)-N,N-dimethyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide
SMILESCN(C)S(=O)(=O)[C@@H]1CNC[C@H]1C(F)(F)F
InChIInChI=1S/C7H13F3N2O2S/c1-12(2)15(13,14)6-4-11-3-5(6)7(8,9)10/h5-6,11H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyYYUGNJGRBQFONV-PHDIDXHHSA-N
XLogP0.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N,N-dimethyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide?
The IUPAC name of (3S,4S)-N,N-dimethyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide (CID 100756960) is (3S,4S)-N,N-dimethyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for (3S,4S)-N,N-dimethyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide?
The canonical SMILES for (3S,4S)-N,N-dimethyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide is CN(C)S(=O)(=O)[C@@H]1CNC[C@H]1C(F)(F)F.
What is the InChIKey of (3S,4S)-N,N-dimethyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide?
The InChIKey is YYUGNJGRBQFONV-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H13F3N2O2S/c1-12(2)15(13,14)6-4-11-3-5(6)7(8,9)10/h5-6,11H,3-4H2,1-2H3/t5-,6-/m1/s1.
What are the key properties of (3S,4S)-N,N-dimethyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide?
(3S,4S)-N,N-dimethyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide has a molecular weight of 246.25 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N,N-dimethyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 100756960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).