(3S,4S)-4-fluoro-1-methylsulfonylpyrrolidin-3-ol

C5H10FNO3S — CID 122536487

IUPAC(3S,4S)-4-fluoro-1-methylsulfonylpyrrolidin-3-ol
SMILESCS(=O)(=O)N1C[C@H](O)[C@@H](F)C1
InChIInChI=1S/C5H10FNO3S/c1-11(9,10)7-2-4(6)5(8)3-7/h4-5,8H,2-3H2,1H3/t4-,5-/m0/s1
InChIKeyNRCCPSFTJMQLMM-WHFBIAKZSA-N
MW183.20 g/mol
LogP-1.04
Rot. Bonds1

About (3S,4S)-4-fluoro-1-methylsulfonylpyrrolidin-3-ol

(3S,4S)-4-fluoro-1-methylsulfonylpyrrolidin-3-ol (PubChem CID 122536487) has the molecular formula C5H10FNO3S and a molecular weight of 183.20 g/mol. Its IUPAC name is (3S,4S)-4-fluoro-1-methylsulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-fluoro-1-methylsulfonylpyrrolidin-3-ol
PubChem CID122536487
Molecular FormulaC5H10FNO3S
Molecular Weight183.20 g/mol
Exact Mass183.04
IUPAC Name(3S,4S)-4-fluoro-1-methylsulfonylpyrrolidin-3-ol
SMILESCS(=O)(=O)N1C[C@H](O)[C@@H](F)C1
InChIInChI=1S/C5H10FNO3S/c1-11(9,10)7-2-4(6)5(8)3-7/h4-5,8H,2-3H2,1H3/t4-,5-/m0/s1
InChIKeyNRCCPSFTJMQLMM-WHFBIAKZSA-N
XLogP-1.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-fluoro-1-methylsulfonylpyrrolidin-3-ol?
The IUPAC name of (3S,4S)-4-fluoro-1-methylsulfonylpyrrolidin-3-ol (CID 122536487) is (3S,4S)-4-fluoro-1-methylsulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-4-fluoro-1-methylsulfonylpyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-4-fluoro-1-methylsulfonylpyrrolidin-3-ol is CS(=O)(=O)N1C[C@H](O)[C@@H](F)C1.
What is the InChIKey of (3S,4S)-4-fluoro-1-methylsulfonylpyrrolidin-3-ol?
The InChIKey is NRCCPSFTJMQLMM-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H10FNO3S/c1-11(9,10)7-2-4(6)5(8)3-7/h4-5,8H,2-3H2,1H3/t4-,5-/m0/s1.
What are the key properties of (3S,4S)-4-fluoro-1-methylsulfonylpyrrolidin-3-ol?
(3S,4S)-4-fluoro-1-methylsulfonylpyrrolidin-3-ol has a molecular weight of 183.20 g/mol, XLogP of -1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-fluoro-1-methylsulfonylpyrrolidin-3-ol is sourced from PubChem (CID 122536487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).