[(2S,4S)-4-fluoro-1-(2-methyl-3-methylsulfonylpropyl)pyrrolidin-2-yl]methanol

C10H20FNO3S — CID 136581884

IUPAC[(2S,4S)-4-fluoro-1-(2-methyl-3-methylsulfonylpropyl)pyrrolidin-2-yl]methanol
SMILESCC(CN1C[C@@H](F)C[C@H]1CO)CS(C)(=O)=O
InChIInChI=1S/C10H20FNO3S/c1-8(7-16(2,14)15)4-12-5-9(11)3-10(12)6-13/h8-10,13H,3-7H2,1-2H3/t8?,9-,10-/m0/s1
InChIKeyYDMUJRDQNQOISX-AGROOBSYSA-N
MW253.34 g/mol
LogP0.07
Rot. Bonds5

About [(2S,4S)-4-fluoro-1-(2-methyl-3-methylsulfonylpropyl)pyrrolidin-2-yl]methanol

[(2S,4S)-4-fluoro-1-(2-methyl-3-methylsulfonylpropyl)pyrrolidin-2-yl]methanol (PubChem CID 136581884) has the molecular formula C10H20FNO3S and a molecular weight of 253.34 g/mol. Its IUPAC name is [(2S,4S)-4-fluoro-1-(2-methyl-3-methylsulfonylpropyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-4-fluoro-1-(2-methyl-3-methylsulfonylpropyl)pyrrolidin-2-yl]methanol
PubChem CID136581884
Molecular FormulaC10H20FNO3S
Molecular Weight253.34 g/mol
Exact Mass253.11
IUPAC Name[(2S,4S)-4-fluoro-1-(2-methyl-3-methylsulfonylpropyl)pyrrolidin-2-yl]methanol
SMILESCC(CN1C[C@@H](F)C[C@H]1CO)CS(C)(=O)=O
InChIInChI=1S/C10H20FNO3S/c1-8(7-16(2,14)15)4-12-5-9(11)3-10(12)6-13/h8-10,13H,3-7H2,1-2H3/t8?,9-,10-/m0/s1
InChIKeyYDMUJRDQNQOISX-AGROOBSYSA-N
XLogP0.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-fluoro-1-(2-methyl-3-methylsulfonylpropyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-4-fluoro-1-(2-methyl-3-methylsulfonylpropyl)pyrrolidin-2-yl]methanol (CID 136581884) is [(2S,4S)-4-fluoro-1-(2-methyl-3-methylsulfonylpropyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-4-fluoro-1-(2-methyl-3-methylsulfonylpropyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-4-fluoro-1-(2-methyl-3-methylsulfonylpropyl)pyrrolidin-2-yl]methanol is CC(CN1C[C@@H](F)C[C@H]1CO)CS(C)(=O)=O.
What is the InChIKey of [(2S,4S)-4-fluoro-1-(2-methyl-3-methylsulfonylpropyl)pyrrolidin-2-yl]methanol?
The InChIKey is YDMUJRDQNQOISX-AGROOBSYSA-N. The full InChI is InChI=1S/C10H20FNO3S/c1-8(7-16(2,14)15)4-12-5-9(11)3-10(12)6-13/h8-10,13H,3-7H2,1-2H3/t8?,9-,10-/m0/s1.
What are the key properties of [(2S,4S)-4-fluoro-1-(2-methyl-3-methylsulfonylpropyl)pyrrolidin-2-yl]methanol?
[(2S,4S)-4-fluoro-1-(2-methyl-3-methylsulfonylpropyl)pyrrolidin-2-yl]methanol has a molecular weight of 253.34 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-fluoro-1-(2-methyl-3-methylsulfonylpropyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 136581884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).