(1S,2R)-1-amino-1-(4-methylsulfonylphenyl)-3-phenylpropan-2-ol

C16H19NO3S — CID 171266575

IUPAC(1S,2R)-1-amino-1-(4-methylsulfonylphenyl)-3-phenylpropan-2-ol
SMILESCS(=O)(=O)c1ccc([C@H](N)[C@H](O)Cc2ccccc2)cc1
InChIInChI=1S/C16H19NO3S/c1-21(19,20)14-9-7-13(8-10-14)16(17)15(18)11-12-5-3-2-4-6-12/h2-10,15-16,18H,11,17H2,1H3/t15-,16+/m1/s1
InChIKeyFBWUMKVBZNRWLA-CVEARBPZSA-N
MW305.40 g/mol
LogP1.69
Rot. Bonds5

About (1S,2R)-1-amino-1-(4-methylsulfonylphenyl)-3-phenylpropan-2-ol

(1S,2R)-1-amino-1-(4-methylsulfonylphenyl)-3-phenylpropan-2-ol (PubChem CID 171266575) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(4-methylsulfonylphenyl)-3-phenylpropan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(4-methylsulfonylphenyl)-3-phenylpropan-2-ol
PubChem CID171266575
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name(1S,2R)-1-amino-1-(4-methylsulfonylphenyl)-3-phenylpropan-2-ol
SMILESCS(=O)(=O)c1ccc([C@H](N)[C@H](O)Cc2ccccc2)cc1
InChIInChI=1S/C16H19NO3S/c1-21(19,20)14-9-7-13(8-10-14)16(17)15(18)11-12-5-3-2-4-6-12/h2-10,15-16,18H,11,17H2,1H3/t15-,16+/m1/s1
InChIKeyFBWUMKVBZNRWLA-CVEARBPZSA-N
XLogP1.69
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylsulfonylphenyl)-2-phenylethanol
CID 19073233
(1S,2R)-1-amino-1-(4-methoxyphenyl)-3-phenylpropan-2-ol
CID 171267031
(1R,2S)-1-amino-1-(4-tert-butylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171261579
(1S,2R)-1-amino-1-(4-tert-butylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171267264
(1R,2S)-1-amino-1-(4-nitrophenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171260882
(1S,2R)-1-amino-1-(4-methylsulfanylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171270436
[1-(4-methylsulfonylphenyl)-2-phenylethyl]hydrazine
CID 105283057
(1R,2S)-1-amino-1-(4-phenoxyphenyl)-3-phenylpropan-2-ol
CID 171263718
1-(4-methylsulfonylphenyl)-3-phenylpropan-1-ol
CID 114979015
(1R,2S)-1-amino-1-[4-(diethylamino)phenyl]-3-phenylpropan-2-ol;hydrochloride
CID 171263451
(1S,2R)-1-amino-1-(3,5-dimethylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171267421
(1R,2S)-1-amino-3-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171261024

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(4-methylsulfonylphenyl)-3-phenylpropan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-(4-methylsulfonylphenyl)-3-phenylpropan-2-ol (CID 171266575) is (1S,2R)-1-amino-1-(4-methylsulfonylphenyl)-3-phenylpropan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-(4-methylsulfonylphenyl)-3-phenylpropan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-(4-methylsulfonylphenyl)-3-phenylpropan-2-ol is CS(=O)(=O)c1ccc([C@H](N)[C@H](O)Cc2ccccc2)cc1.
What is the InChIKey of (1S,2R)-1-amino-1-(4-methylsulfonylphenyl)-3-phenylpropan-2-ol?
The InChIKey is FBWUMKVBZNRWLA-CVEARBPZSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-21(19,20)14-9-7-13(8-10-14)16(17)15(18)11-12-5-3-2-4-6-12/h2-10,15-16,18H,11,17H2,1H3/t15-,16+/m1/s1.
What are the key properties of (1S,2R)-1-amino-1-(4-methylsulfonylphenyl)-3-phenylpropan-2-ol?
(1S,2R)-1-amino-1-(4-methylsulfonylphenyl)-3-phenylpropan-2-ol has a molecular weight of 305.40 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(4-methylsulfonylphenyl)-3-phenylpropan-2-ol is sourced from PubChem (CID 171266575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).