(3S,4S)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-sulfonamide

C7H15FN2O3S — CID 138583505

IUPAC(3S,4S)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-sulfonamide
SMILESCC(C)NS(=O)(=O)N1C[C@H](O)[C@@H](F)C1
InChIInChI=1S/C7H15FN2O3S/c1-5(2)9-14(12,13)10-3-6(8)7(11)4-10/h5-7,9,11H,3-4H2,1-2H3/t6-,7-/m0/s1
InChIKeyZHTDCOAWMPTBJT-BQBZGAKWSA-N
MW226.27 g/mol
LogP-0.76
Rot. Bonds3

About (3S,4S)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-sulfonamide

(3S,4S)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-sulfonamide (PubChem CID 138583505) has the molecular formula C7H15FN2O3S and a molecular weight of 226.27 g/mol. Its IUPAC name is (3S,4S)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(3S,4S)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-sulfonamide
PubChem CID138583505
Molecular FormulaC7H15FN2O3S
Molecular Weight226.27 g/mol
Exact Mass226.08
IUPAC Name(3S,4S)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-sulfonamide
SMILESCC(C)NS(=O)(=O)N1C[C@H](O)[C@@H](F)C1
InChIInChI=1S/C7H15FN2O3S/c1-5(2)9-14(12,13)10-3-6(8)7(11)4-10/h5-7,9,11H,3-4H2,1-2H3/t6-,7-/m0/s1
InChIKeyZHTDCOAWMPTBJT-BQBZGAKWSA-N
XLogP-0.76
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-sulfonamide?
The IUPAC name of (3S,4S)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-sulfonamide (CID 138583505) is (3S,4S)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-sulfonamide.
What is the SMILES notation for (3S,4S)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-sulfonamide?
The canonical SMILES for (3S,4S)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-sulfonamide is CC(C)NS(=O)(=O)N1C[C@H](O)[C@@H](F)C1.
What is the InChIKey of (3S,4S)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-sulfonamide?
The InChIKey is ZHTDCOAWMPTBJT-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H15FN2O3S/c1-5(2)9-14(12,13)10-3-6(8)7(11)4-10/h5-7,9,11H,3-4H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of (3S,4S)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-sulfonamide?
(3S,4S)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-sulfonamide has a molecular weight of 226.27 g/mol, XLogP of -0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 138583505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).