3-amino-3-(4-ethylsulfonylphenyl)propan-1-ol;hydrochloride

C11H18ClNO3S — CID 166644481

IUPAC3-amino-3-(4-ethylsulfonylphenyl)propan-1-ol;hydrochloride
SMILESCCS(=O)(=O)c1ccc(C(N)CCO)cc1.Cl
InChIInChI=1S/C11H17NO3S.ClH/c1-2-16(14,15)10-5-3-9(4-6-10)11(12)7-8-13;/h3-6,11,13H,2,7-8,12H2,1H3;1H
InChIKeyYFOWYLRVPRYJSE-UHFFFAOYSA-N
MW279.79 g/mol
LogP1.28
Rot. Bonds5

About 3-amino-3-(4-ethylsulfonylphenyl)propan-1-ol;hydrochloride

3-amino-3-(4-ethylsulfonylphenyl)propan-1-ol;hydrochloride (PubChem CID 166644481) has the molecular formula C11H18ClNO3S and a molecular weight of 279.79 g/mol. Its IUPAC name is 3-amino-3-(4-ethylsulfonylphenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-3-(4-ethylsulfonylphenyl)propan-1-ol;hydrochloride
PubChem CID166644481
Molecular FormulaC11H18ClNO3S
Molecular Weight279.79 g/mol
Exact Mass279.07
IUPAC Name3-amino-3-(4-ethylsulfonylphenyl)propan-1-ol;hydrochloride
SMILESCCS(=O)(=O)c1ccc(C(N)CCO)cc1.Cl
InChIInChI=1S/C11H17NO3S.ClH/c1-2-16(14,15)10-5-3-9(4-6-10)11(12)7-8-13;/h3-6,11,13H,2,7-8,12H2,1H3;1H
InChIKeyYFOWYLRVPRYJSE-UHFFFAOYSA-N
XLogP1.28
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

amino-(4-ethylsulfonylphenyl)methanol
CID 116939662
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CID 166644392
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1-(4-propylsulfonylphenyl)butan-1-amine
CID 82550637
amino-(4-ethylsulfonylphenyl)methanethiol
CID 116939510
1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone;hydrochloride
CID 170874850
(1R,2R)-1-amino-1-(4-ethylsulfonylphenyl)propan-2-ol
CID 121290550
3-amino-3-[4-(4-methylphenyl)phenyl]propan-1-ol;hydrochloride
CID 170875108
(3R)-3-amino-3-(4-nitrophenyl)propan-1-ol;hydrochloride
CID 171198277
(2R)-2-amino-2-(4-methylsulfonylphenyl)ethanol;hydrochloride
CID 142503487
1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone
CID 170874851
4-[(1S)-1-amino-3-hydroxypropyl]benzoic acid;hydrochloride
CID 171217673

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-ethylsulfonylphenyl)propan-1-ol;hydrochloride?
The IUPAC name of 3-amino-3-(4-ethylsulfonylphenyl)propan-1-ol;hydrochloride (CID 166644481) is 3-amino-3-(4-ethylsulfonylphenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for 3-amino-3-(4-ethylsulfonylphenyl)propan-1-ol;hydrochloride?
The canonical SMILES for 3-amino-3-(4-ethylsulfonylphenyl)propan-1-ol;hydrochloride is CCS(=O)(=O)c1ccc(C(N)CCO)cc1.Cl.
What is the InChIKey of 3-amino-3-(4-ethylsulfonylphenyl)propan-1-ol;hydrochloride?
The InChIKey is YFOWYLRVPRYJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S.ClH/c1-2-16(14,15)10-5-3-9(4-6-10)11(12)7-8-13;/h3-6,11,13H,2,7-8,12H2,1H3;1H.
What are the key properties of 3-amino-3-(4-ethylsulfonylphenyl)propan-1-ol;hydrochloride?
3-amino-3-(4-ethylsulfonylphenyl)propan-1-ol;hydrochloride has a molecular weight of 279.79 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-ethylsulfonylphenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 166644481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).