[3-(4-fluorophenyl)sulfanylpyrrolidin-1-yl]-[(2R)-2-(hydroxymethyl)morpholin-4-yl]methanone

C16H21FN2O3S — CID 134374391

IUPAC[3-(4-fluorophenyl)sulfanylpyrrolidin-1-yl]-[(2R)-2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESO=C(N1CCC(Sc2ccc(F)cc2)C1)N1CCO[C@@H](CO)C1
InChIInChI=1S/C16H21FN2O3S/c17-12-1-3-14(4-2-12)23-15-5-6-18(10-15)16(21)19-7-8-22-13(9-19)11-20/h1-4,13,15,20H,5-11H2/t13-,15?/m1/s1
InChIKeyIRQFNCZQRPNHPA-AFYYWNPRSA-N
MW340.42 g/mol
LogP1.81
Rot. Bonds3

About [3-(4-fluorophenyl)sulfanylpyrrolidin-1-yl]-[(2R)-2-(hydroxymethyl)morpholin-4-yl]methanone

[3-(4-fluorophenyl)sulfanylpyrrolidin-1-yl]-[(2R)-2-(hydroxymethyl)morpholin-4-yl]methanone (PubChem CID 134374391) has the molecular formula C16H21FN2O3S and a molecular weight of 340.42 g/mol. Its IUPAC name is [3-(4-fluorophenyl)sulfanylpyrrolidin-1-yl]-[(2R)-2-(hydroxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)sulfanylpyrrolidin-1-yl]-[(2R)-2-(hydroxymethyl)morpholin-4-yl]methanone
PubChem CID134374391
Molecular FormulaC16H21FN2O3S
Molecular Weight340.42 g/mol
Exact Mass340.13
IUPAC Name[3-(4-fluorophenyl)sulfanylpyrrolidin-1-yl]-[(2R)-2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESO=C(N1CCC(Sc2ccc(F)cc2)C1)N1CCO[C@@H](CO)C1
InChIInChI=1S/C16H21FN2O3S/c17-12-1-3-14(4-2-12)23-15-5-6-18(10-15)16(21)19-7-8-22-13(9-19)11-20/h1-4,13,15,20H,5-11H2/t13-,15?/m1/s1
InChIKeyIRQFNCZQRPNHPA-AFYYWNPRSA-N
XLogP1.81
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)sulfanylpyrrolidin-1-yl]-[(2R)-2-(hydroxymethyl)morpholin-4-yl]methanone?
The IUPAC name of [3-(4-fluorophenyl)sulfanylpyrrolidin-1-yl]-[(2R)-2-(hydroxymethyl)morpholin-4-yl]methanone (CID 134374391) is [3-(4-fluorophenyl)sulfanylpyrrolidin-1-yl]-[(2R)-2-(hydroxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for [3-(4-fluorophenyl)sulfanylpyrrolidin-1-yl]-[(2R)-2-(hydroxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for [3-(4-fluorophenyl)sulfanylpyrrolidin-1-yl]-[(2R)-2-(hydroxymethyl)morpholin-4-yl]methanone is O=C(N1CCC(Sc2ccc(F)cc2)C1)N1CCO[C@@H](CO)C1.
What is the InChIKey of [3-(4-fluorophenyl)sulfanylpyrrolidin-1-yl]-[(2R)-2-(hydroxymethyl)morpholin-4-yl]methanone?
The InChIKey is IRQFNCZQRPNHPA-AFYYWNPRSA-N. The full InChI is InChI=1S/C16H21FN2O3S/c17-12-1-3-14(4-2-12)23-15-5-6-18(10-15)16(21)19-7-8-22-13(9-19)11-20/h1-4,13,15,20H,5-11H2/t13-,15?/m1/s1.
What are the key properties of [3-(4-fluorophenyl)sulfanylpyrrolidin-1-yl]-[(2R)-2-(hydroxymethyl)morpholin-4-yl]methanone?
[3-(4-fluorophenyl)sulfanylpyrrolidin-1-yl]-[(2R)-2-(hydroxymethyl)morpholin-4-yl]methanone has a molecular weight of 340.42 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)sulfanylpyrrolidin-1-yl]-[(2R)-2-(hydroxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 134374391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).