[(2S)-1-(3-fluorophenyl)sulfinylpyrrolidin-2-yl]methanol

C11H14FNO2S — CID 130358274

IUPAC[(2S)-1-(3-fluorophenyl)sulfinylpyrrolidin-2-yl]methanol
SMILESO=S(c1cccc(F)c1)N1CCC[C@H]1CO
InChIInChI=1S/C11H14FNO2S/c12-9-3-1-5-11(7-9)16(15)13-6-2-4-10(13)8-14/h1,3,5,7,10,14H,2,4,6,8H2/t10-,16?/m0/s1
InChIKeyHLEROUFFIGRDPX-VQVVDHBBSA-N
MW243.30 g/mol
LogP1.30
Rot. Bonds3

About [(2S)-1-(3-fluorophenyl)sulfinylpyrrolidin-2-yl]methanol

[(2S)-1-(3-fluorophenyl)sulfinylpyrrolidin-2-yl]methanol (PubChem CID 130358274) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is [(2S)-1-(3-fluorophenyl)sulfinylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(3-fluorophenyl)sulfinylpyrrolidin-2-yl]methanol
PubChem CID130358274
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC Name[(2S)-1-(3-fluorophenyl)sulfinylpyrrolidin-2-yl]methanol
SMILESO=S(c1cccc(F)c1)N1CCC[C@H]1CO
InChIInChI=1S/C11H14FNO2S/c12-9-3-1-5-11(7-9)16(15)13-6-2-4-10(13)8-14/h1,3,5,7,10,14H,2,4,6,8H2/t10-,16?/m0/s1
InChIKeyHLEROUFFIGRDPX-VQVVDHBBSA-N
XLogP1.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(3-fluorophenyl)sulfinylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(3-fluorophenyl)sulfinylpyrrolidin-2-yl]methanol (CID 130358274) is [(2S)-1-(3-fluorophenyl)sulfinylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(3-fluorophenyl)sulfinylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(3-fluorophenyl)sulfinylpyrrolidin-2-yl]methanol is O=S(c1cccc(F)c1)N1CCC[C@H]1CO.
What is the InChIKey of [(2S)-1-(3-fluorophenyl)sulfinylpyrrolidin-2-yl]methanol?
The InChIKey is HLEROUFFIGRDPX-VQVVDHBBSA-N. The full InChI is InChI=1S/C11H14FNO2S/c12-9-3-1-5-11(7-9)16(15)13-6-2-4-10(13)8-14/h1,3,5,7,10,14H,2,4,6,8H2/t10-,16?/m0/s1.
What are the key properties of [(2S)-1-(3-fluorophenyl)sulfinylpyrrolidin-2-yl]methanol?
[(2S)-1-(3-fluorophenyl)sulfinylpyrrolidin-2-yl]methanol has a molecular weight of 243.30 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(3-fluorophenyl)sulfinylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 130358274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).