2-(9H-fluoren-9-ylsulfinyl)-N-[(2S)-1-hydroxypropan-2-yl]acetamide

C18H19NO3S — CID 131853077

IUPAC2-(9H-fluoren-9-ylsulfinyl)-N-[(2S)-1-hydroxypropan-2-yl]acetamide
SMILESC[C@@H](CO)NC(=O)CS(=O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H19NO3S/c1-12(10-20)19-17(21)11-23(22)18-15-8-4-2-6-13(15)14-7-3-5-9-16(14)18/h2-9,12,18,20H,10-11H2,1H3,(H,19,21)/t12-,23?/m0/s1
InChIKeyRZKLATZSEBVYTE-AKYMPMEGSA-N
MW329.42 g/mol
LogP2.00
Rot. Bonds5

About 2-(9H-fluoren-9-ylsulfinyl)-N-[(2S)-1-hydroxypropan-2-yl]acetamide

2-(9H-fluoren-9-ylsulfinyl)-N-[(2S)-1-hydroxypropan-2-yl]acetamide (PubChem CID 131853077) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylsulfinyl)-N-[(2S)-1-hydroxypropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylsulfinyl)-N-[(2S)-1-hydroxypropan-2-yl]acetamide
PubChem CID131853077
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC Name2-(9H-fluoren-9-ylsulfinyl)-N-[(2S)-1-hydroxypropan-2-yl]acetamide
SMILESC[C@@H](CO)NC(=O)CS(=O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H19NO3S/c1-12(10-20)19-17(21)11-23(22)18-15-8-4-2-6-13(15)14-7-3-5-9-16(14)18/h2-9,12,18,20H,10-11H2,1H3,(H,19,21)/t12-,23?/m0/s1
InChIKeyRZKLATZSEBVYTE-AKYMPMEGSA-N
XLogP2.00
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylsulfinyl)-N-[(2S)-1-hydroxypropan-2-yl]acetamide?
The IUPAC name of 2-(9H-fluoren-9-ylsulfinyl)-N-[(2S)-1-hydroxypropan-2-yl]acetamide (CID 131853077) is 2-(9H-fluoren-9-ylsulfinyl)-N-[(2S)-1-hydroxypropan-2-yl]acetamide.
What is the SMILES notation for 2-(9H-fluoren-9-ylsulfinyl)-N-[(2S)-1-hydroxypropan-2-yl]acetamide?
The canonical SMILES for 2-(9H-fluoren-9-ylsulfinyl)-N-[(2S)-1-hydroxypropan-2-yl]acetamide is C[C@@H](CO)NC(=O)CS(=O)C1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-(9H-fluoren-9-ylsulfinyl)-N-[(2S)-1-hydroxypropan-2-yl]acetamide?
The InChIKey is RZKLATZSEBVYTE-AKYMPMEGSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-12(10-20)19-17(21)11-23(22)18-15-8-4-2-6-13(15)14-7-3-5-9-16(14)18/h2-9,12,18,20H,10-11H2,1H3,(H,19,21)/t12-,23?/m0/s1.
What are the key properties of 2-(9H-fluoren-9-ylsulfinyl)-N-[(2S)-1-hydroxypropan-2-yl]acetamide?
2-(9H-fluoren-9-ylsulfinyl)-N-[(2S)-1-hydroxypropan-2-yl]acetamide has a molecular weight of 329.42 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylsulfinyl)-N-[(2S)-1-hydroxypropan-2-yl]acetamide is sourced from PubChem (CID 131853077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).