(3R)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide

C6H11F3N2O3S — CID 104978074

IUPAC(3R)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NCC(F)(F)F)N1CC[C@@H](O)C1
InChIInChI=1S/C6H11F3N2O3S/c7-6(8,9)4-10-15(13,14)11-2-1-5(12)3-11/h5,10,12H,1-4H2/t5-/m1/s1
InChIKeyPGVDRVOCZZOFTM-RXMQYKEDSA-N
MW248.23 g/mol
LogP-0.55
Rot. Bonds3

About (3R)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide

(3R)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide (PubChem CID 104978074) has the molecular formula C6H11F3N2O3S and a molecular weight of 248.23 g/mol. Its IUPAC name is (3R)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
PubChem CID104978074
Molecular FormulaC6H11F3N2O3S
Molecular Weight248.23 g/mol
Exact Mass248.04
IUPAC Name(3R)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NCC(F)(F)F)N1CC[C@@H](O)C1
InChIInChI=1S/C6H11F3N2O3S/c7-6(8,9)4-10-15(13,14)11-2-1-5(12)3-11/h5,10,12H,1-4H2/t5-/m1/s1
InChIKeyPGVDRVOCZZOFTM-RXMQYKEDSA-N
XLogP-0.55
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of (3R)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide (CID 104978074) is (3R)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for (3R)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for (3R)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide is O=S(=O)(NCC(F)(F)F)N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
The InChIKey is PGVDRVOCZZOFTM-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H11F3N2O3S/c7-6(8,9)4-10-15(13,14)11-2-1-5(12)3-11/h5,10,12H,1-4H2/t5-/m1/s1.
What are the key properties of (3R)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
(3R)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide has a molecular weight of 248.23 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 104978074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).