4,4,4-trifluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylbutane-1-sulfonamide

C9H17F3N2O3S — CID 83059719

IUPAC4,4,4-trifluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylbutane-1-sulfonamide
SMILESCN([C@@H]1CNC[C@H]1O)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C9H17F3N2O3S/c1-14(7-5-13-6-8(7)15)18(16,17)4-2-3-9(10,11)12/h7-8,13,15H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyYOFBQUFXBBTWBI-HTQZYQBOSA-N
MW290.31 g/mol
LogP-0.08
Rot. Bonds5

About 4,4,4-trifluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylbutane-1-sulfonamide

4,4,4-trifluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylbutane-1-sulfonamide (PubChem CID 83059719) has the molecular formula C9H17F3N2O3S and a molecular weight of 290.31 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylbutane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylbutane-1-sulfonamide
PubChem CID83059719
Molecular FormulaC9H17F3N2O3S
Molecular Weight290.31 g/mol
Exact Mass290.09
IUPAC Name4,4,4-trifluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylbutane-1-sulfonamide
SMILESCN([C@@H]1CNC[C@H]1O)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C9H17F3N2O3S/c1-14(7-5-13-6-8(7)15)18(16,17)4-2-3-9(10,11)12/h7-8,13,15H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyYOFBQUFXBBTWBI-HTQZYQBOSA-N
XLogP-0.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylbutane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylbutane-1-sulfonamide (CID 83059719) is 4,4,4-trifluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylbutane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylbutane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylbutane-1-sulfonamide is CN([C@@H]1CNC[C@H]1O)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylbutane-1-sulfonamide?
The InChIKey is YOFBQUFXBBTWBI-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H17F3N2O3S/c1-14(7-5-13-6-8(7)15)18(16,17)4-2-3-9(10,11)12/h7-8,13,15H,2-6H2,1H3/t7-,8-/m1/s1.
What are the key properties of 4,4,4-trifluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylbutane-1-sulfonamide?
4,4,4-trifluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylbutane-1-sulfonamide has a molecular weight of 290.31 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylbutane-1-sulfonamide is sourced from PubChem (CID 83059719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).