[(2S,4S)-4-fluoro-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]methanol

C15H22FN3O3S — CID 128979610

IUPAC[(2S,4S)-4-fluoro-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1ccc(N2C[C@@H](F)C[C@H]2CO)nc1)N1CCCCC1
InChIInChI=1S/C15H22FN3O3S/c16-12-8-13(11-20)19(10-12)15-5-4-14(9-17-15)23(21,22)18-6-2-1-3-7-18/h4-5,9,12-13,20H,1-3,6-8,10-11H2/t12-,13-/m0/s1
InChIKeyRJAWLZQBQAMLKA-STQMWFEESA-N
MW343.42 g/mol
LogP1.17
Rot. Bonds4

About [(2S,4S)-4-fluoro-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]methanol

[(2S,4S)-4-fluoro-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]methanol (PubChem CID 128979610) has the molecular formula C15H22FN3O3S and a molecular weight of 343.42 g/mol. Its IUPAC name is [(2S,4S)-4-fluoro-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-4-fluoro-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]methanol
PubChem CID128979610
Molecular FormulaC15H22FN3O3S
Molecular Weight343.42 g/mol
Exact Mass343.14
IUPAC Name[(2S,4S)-4-fluoro-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1ccc(N2C[C@@H](F)C[C@H]2CO)nc1)N1CCCCC1
InChIInChI=1S/C15H22FN3O3S/c16-12-8-13(11-20)19(10-12)15-5-4-14(9-17-15)23(21,22)18-6-2-1-3-7-18/h4-5,9,12-13,20H,1-3,6-8,10-11H2/t12-,13-/m0/s1
InChIKeyRJAWLZQBQAMLKA-STQMWFEESA-N
XLogP1.17
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-fluoro-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-4-fluoro-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]methanol (CID 128979610) is [(2S,4S)-4-fluoro-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-4-fluoro-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-4-fluoro-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]methanol is O=S(=O)(c1ccc(N2C[C@@H](F)C[C@H]2CO)nc1)N1CCCCC1.
What is the InChIKey of [(2S,4S)-4-fluoro-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]methanol?
The InChIKey is RJAWLZQBQAMLKA-STQMWFEESA-N. The full InChI is InChI=1S/C15H22FN3O3S/c16-12-8-13(11-20)19(10-12)15-5-4-14(9-17-15)23(21,22)18-6-2-1-3-7-18/h4-5,9,12-13,20H,1-3,6-8,10-11H2/t12-,13-/m0/s1.
What are the key properties of [(2S,4S)-4-fluoro-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]methanol?
[(2S,4S)-4-fluoro-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]methanol has a molecular weight of 343.42 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-fluoro-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 128979610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).