(2R)-2-amino-2-(3-methylsulfonylphenyl)ethanol;hydrochloride

C9H14ClNO3S — CID 127264657

IUPAC(2R)-2-amino-2-(3-methylsulfonylphenyl)ethanol;hydrochloride
SMILESCS(=O)(=O)c1cccc([C@@H](N)CO)c1.Cl
InChIInChI=1S/C9H13NO3S.ClH/c1-14(12,13)8-4-2-3-7(5-8)9(10)6-11;/h2-5,9,11H,6,10H2,1H3;1H/t9-;/m0./s1
InChIKeyYTCSLMORNSCNKJ-FVGYRXGTSA-N
MW251.73 g/mol
LogP0.50
Rot. Bonds3

About (2R)-2-amino-2-(3-methylsulfonylphenyl)ethanol;hydrochloride

(2R)-2-amino-2-(3-methylsulfonylphenyl)ethanol;hydrochloride (PubChem CID 127264657) has the molecular formula C9H14ClNO3S and a molecular weight of 251.73 g/mol. Its IUPAC name is (2R)-2-amino-2-(3-methylsulfonylphenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-2-(3-methylsulfonylphenyl)ethanol;hydrochloride
PubChem CID127264657
Molecular FormulaC9H14ClNO3S
Molecular Weight251.73 g/mol
Exact Mass251.04
IUPAC Name(2R)-2-amino-2-(3-methylsulfonylphenyl)ethanol;hydrochloride
SMILESCS(=O)(=O)c1cccc([C@@H](N)CO)c1.Cl
InChIInChI=1S/C9H13NO3S.ClH/c1-14(12,13)8-4-2-3-7(5-8)9(10)6-11;/h2-5,9,11H,6,10H2,1H3;1H/t9-;/m0./s1
InChIKeyYTCSLMORNSCNKJ-FVGYRXGTSA-N
XLogP0.50
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.73
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylsulfonylphenyl)propan-1-amine
CID 66935160
3-amino-3-(3-methylsulfonylphenyl)propanoic acid
CID 117359940
(2R)-2-amino-2-(4-methylsulfonylphenyl)ethanol;hydrochloride
CID 142503487
2-methoxy-1-(3-methylsulfonylphenyl)ethanamine
CID 112693329
(1S)-2,2,2-trifluoro-1-(3-methylsulfonylphenyl)ethanamine;hydrochloride
CID 162344458
(1R)-2-methyl-1-(3-methylsulfonylphenyl)propan-1-amine;hydrochloride
CID 162344134
2-(4-methylphenyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 115788166
1-(3-methylsulfonylphenyl)-4-phenylbutan-1-amine
CID 115849458
2-(3-methylphenyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 115790732
2-cyclopentyl-1-(3-methylsulfonylphenyl)ethanamine
CID 115847281
(3-chlorophenyl)-(3-methylsulfonylphenyl)methanamine
CID 115811597
2-(3-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 115795669

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3-methylsulfonylphenyl)ethanol;hydrochloride?
The IUPAC name of (2R)-2-amino-2-(3-methylsulfonylphenyl)ethanol;hydrochloride (CID 127264657) is (2R)-2-amino-2-(3-methylsulfonylphenyl)ethanol;hydrochloride.
What is the SMILES notation for (2R)-2-amino-2-(3-methylsulfonylphenyl)ethanol;hydrochloride?
The canonical SMILES for (2R)-2-amino-2-(3-methylsulfonylphenyl)ethanol;hydrochloride is CS(=O)(=O)c1cccc([C@@H](N)CO)c1.Cl.
What is the InChIKey of (2R)-2-amino-2-(3-methylsulfonylphenyl)ethanol;hydrochloride?
The InChIKey is YTCSLMORNSCNKJ-FVGYRXGTSA-N. The full InChI is InChI=1S/C9H13NO3S.ClH/c1-14(12,13)8-4-2-3-7(5-8)9(10)6-11;/h2-5,9,11H,6,10H2,1H3;1H/t9-;/m0./s1.
What are the key properties of (2R)-2-amino-2-(3-methylsulfonylphenyl)ethanol;hydrochloride?
(2R)-2-amino-2-(3-methylsulfonylphenyl)ethanol;hydrochloride has a molecular weight of 251.73 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(3-methylsulfonylphenyl)ethanol;hydrochloride is sourced from PubChem (CID 127264657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).