(3R)-3-[[[(2S)-1-(2-fluorophenyl)propan-2-yl]amino]methyl]thiolan-3-ol

C14H20FNOS — CID 99824907

IUPAC(3R)-3-[[[(2S)-1-(2-fluorophenyl)propan-2-yl]amino]methyl]thiolan-3-ol
SMILESC[C@@H](Cc1ccccc1F)NC[C@]1(O)CCSC1
InChIInChI=1S/C14H20FNOS/c1-11(8-12-4-2-3-5-13(12)15)16-9-14(17)6-7-18-10-14/h2-5,11,16-17H,6-10H2,1H3/t11-,14+/m0/s1
InChIKeyIFDMZZWFXCRRHW-SMDDNHRTSA-N
MW269.38 g/mol
LogP2.21
Rot. Bonds5

About (3R)-3-[[[(2S)-1-(2-fluorophenyl)propan-2-yl]amino]methyl]thiolan-3-ol

(3R)-3-[[[(2S)-1-(2-fluorophenyl)propan-2-yl]amino]methyl]thiolan-3-ol (PubChem CID 99824907) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is (3R)-3-[[[(2S)-1-(2-fluorophenyl)propan-2-yl]amino]methyl]thiolan-3-ol.

Molecular Properties

Compound Name(3R)-3-[[[(2S)-1-(2-fluorophenyl)propan-2-yl]amino]methyl]thiolan-3-ol
PubChem CID99824907
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC Name(3R)-3-[[[(2S)-1-(2-fluorophenyl)propan-2-yl]amino]methyl]thiolan-3-ol
SMILESC[C@@H](Cc1ccccc1F)NC[C@]1(O)CCSC1
InChIInChI=1S/C14H20FNOS/c1-11(8-12-4-2-3-5-13(12)15)16-9-14(17)6-7-18-10-14/h2-5,11,16-17H,6-10H2,1H3/t11-,14+/m0/s1
InChIKeyIFDMZZWFXCRRHW-SMDDNHRTSA-N
XLogP2.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[[(2S)-1-(2-fluorophenyl)propan-2-yl]amino]methyl]thiolan-3-ol?
The IUPAC name of (3R)-3-[[[(2S)-1-(2-fluorophenyl)propan-2-yl]amino]methyl]thiolan-3-ol (CID 99824907) is (3R)-3-[[[(2S)-1-(2-fluorophenyl)propan-2-yl]amino]methyl]thiolan-3-ol.
What is the SMILES notation for (3R)-3-[[[(2S)-1-(2-fluorophenyl)propan-2-yl]amino]methyl]thiolan-3-ol?
The canonical SMILES for (3R)-3-[[[(2S)-1-(2-fluorophenyl)propan-2-yl]amino]methyl]thiolan-3-ol is C[C@@H](Cc1ccccc1F)NC[C@]1(O)CCSC1.
What is the InChIKey of (3R)-3-[[[(2S)-1-(2-fluorophenyl)propan-2-yl]amino]methyl]thiolan-3-ol?
The InChIKey is IFDMZZWFXCRRHW-SMDDNHRTSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-11(8-12-4-2-3-5-13(12)15)16-9-14(17)6-7-18-10-14/h2-5,11,16-17H,6-10H2,1H3/t11-,14+/m0/s1.
What are the key properties of (3R)-3-[[[(2S)-1-(2-fluorophenyl)propan-2-yl]amino]methyl]thiolan-3-ol?
(3R)-3-[[[(2S)-1-(2-fluorophenyl)propan-2-yl]amino]methyl]thiolan-3-ol has a molecular weight of 269.38 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[[(2S)-1-(2-fluorophenyl)propan-2-yl]amino]methyl]thiolan-3-ol is sourced from PubChem (CID 99824907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).