(2R)-2-(1-ethylsulfonylpropan-2-ylamino)-2-phenylethanol

C13H21NO3S — CID 113350842

IUPAC(2R)-2-(1-ethylsulfonylpropan-2-ylamino)-2-phenylethanol
SMILESCCS(=O)(=O)CC(C)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C13H21NO3S/c1-3-18(16,17)10-11(2)14-13(9-15)12-7-5-4-6-8-12/h4-8,11,13-15H,3,9-10H2,1-2H3/t11?,13-/m0/s1
InChIKeyZSGPBZCYEQJBQD-YUZLPWPTSA-N
MW271.38 g/mol
LogP1.13
Rot. Bonds7

About (2R)-2-(1-ethylsulfonylpropan-2-ylamino)-2-phenylethanol

(2R)-2-(1-ethylsulfonylpropan-2-ylamino)-2-phenylethanol (PubChem CID 113350842) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is (2R)-2-(1-ethylsulfonylpropan-2-ylamino)-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-(1-ethylsulfonylpropan-2-ylamino)-2-phenylethanol
PubChem CID113350842
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name(2R)-2-(1-ethylsulfonylpropan-2-ylamino)-2-phenylethanol
SMILESCCS(=O)(=O)CC(C)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C13H21NO3S/c1-3-18(16,17)10-11(2)14-13(9-15)12-7-5-4-6-8-12/h4-8,11,13-15H,3,9-10H2,1-2H3/t11?,13-/m0/s1
InChIKeyZSGPBZCYEQJBQD-YUZLPWPTSA-N
XLogP1.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylsulfonylpropan-2-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 115900683
(2R)-2-(heptan-2-ylamino)-2-phenylethanol
CID 103788664
(2S)-2-phenyl-2-(1-phenylpropan-2-ylamino)ethanol
CID 107862161
4-[[(1S)-2-hydroxy-1-phenylethyl]amino]pentanoic acid
CID 107862309
2-(1-methoxypropan-2-ylamino)-2-phenylethanol
CID 63182604
(2S)-2-(1-cyclopropylpropan-2-ylamino)-2-phenylethanol
CID 103784069
(2R)-2-(4-methoxybutan-2-ylamino)-2-phenylethanol
CID 103788815
(2S)-2-phenyl-2-(1-phenylbutylamino)ethanol
CID 103783978
(2S)-2-[(2-methyl-1-phenylpropyl)amino]-2-phenylethanol
CID 107862261
(2S)-2-(1-phenylpropylamino)propanoic acid
CID 90916236
N-[cyclopropyl(phenyl)methyl]-1-ethylsulfonylpropan-2-amine
CID 115898623
2-(heptan-4-ylamino)-2-phenylethanol
CID 55160187

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-ethylsulfonylpropan-2-ylamino)-2-phenylethanol?
The IUPAC name of (2R)-2-(1-ethylsulfonylpropan-2-ylamino)-2-phenylethanol (CID 113350842) is (2R)-2-(1-ethylsulfonylpropan-2-ylamino)-2-phenylethanol.
What is the SMILES notation for (2R)-2-(1-ethylsulfonylpropan-2-ylamino)-2-phenylethanol?
The canonical SMILES for (2R)-2-(1-ethylsulfonylpropan-2-ylamino)-2-phenylethanol is CCS(=O)(=O)CC(C)N[C@@H](CO)c1ccccc1.
What is the InChIKey of (2R)-2-(1-ethylsulfonylpropan-2-ylamino)-2-phenylethanol?
The InChIKey is ZSGPBZCYEQJBQD-YUZLPWPTSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-3-18(16,17)10-11(2)14-13(9-15)12-7-5-4-6-8-12/h4-8,11,13-15H,3,9-10H2,1-2H3/t11?,13-/m0/s1.
What are the key properties of (2R)-2-(1-ethylsulfonylpropan-2-ylamino)-2-phenylethanol?
(2R)-2-(1-ethylsulfonylpropan-2-ylamino)-2-phenylethanol has a molecular weight of 271.38 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-ethylsulfonylpropan-2-ylamino)-2-phenylethanol is sourced from PubChem (CID 113350842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).