(1R,2R)-1-amino-1-(4-ethylsulfonylphenyl)propan-2-ol

C11H17NO3S — CID 121290550

IUPAC(1R,2R)-1-amino-1-(4-ethylsulfonylphenyl)propan-2-ol
SMILESCCS(=O)(=O)c1ccc([C@@H](N)[C@@H](C)O)cc1
InChIInChI=1S/C11H17NO3S/c1-3-16(14,15)10-6-4-9(5-7-10)11(12)8(2)13/h4-8,11,13H,3,12H2,1-2H3/t8-,11+/m1/s1
InChIKeyATPCVRPRXZDQGC-KCJUWKMLSA-N
MW243.33 g/mol
LogP0.86
Rot. Bonds4

About (1R,2R)-1-amino-1-(4-ethylsulfonylphenyl)propan-2-ol

(1R,2R)-1-amino-1-(4-ethylsulfonylphenyl)propan-2-ol (PubChem CID 121290550) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is (1R,2R)-1-amino-1-(4-ethylsulfonylphenyl)propan-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-amino-1-(4-ethylsulfonylphenyl)propan-2-ol
PubChem CID121290550
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name(1R,2R)-1-amino-1-(4-ethylsulfonylphenyl)propan-2-ol
SMILESCCS(=O)(=O)c1ccc([C@@H](N)[C@@H](C)O)cc1
InChIInChI=1S/C11H17NO3S/c1-3-16(14,15)10-6-4-9(5-7-10)11(12)8(2)13/h4-8,11,13H,3,12H2,1-2H3/t8-,11+/m1/s1
InChIKeyATPCVRPRXZDQGC-KCJUWKMLSA-N
XLogP0.86
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

amino-(4-ethylsulfonylphenyl)methanol
CID 116939662
amino-(4-ethylsulfonylphenyl)methanethiol
CID 116939510
(1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol
CID 93284110
2-(4-ethylsulfonylphenyl)-2-fluoroethanol
CID 105425917
3-amino-3-(4-ethylsulfonylphenyl)propan-1-ol;hydrochloride
CID 166644481
(1S,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol;hydrochloride
CID 171270161
1-[(4-ethylsulfonylphenyl)methylamino]ethanol
CID 175910689
cyclopropyl-(4-ethylsulfonylphenyl)methanamine
CID 71015786
4-[(1R)-1-amino-2-hydroxypropyl]phenol
CID 130840642
(1S,2R)-1-amino-1-(4-propan-2-ylphenyl)propan-2-ol;hydrochloride
CID 171162397
2-amino-1-(4-ethylsulfonylphenyl)ethanethiol
CID 116868654
1-amino-1-(4-nitrophenyl)propan-2-ol
CID 55268505

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-amino-1-(4-ethylsulfonylphenyl)propan-2-ol?
The IUPAC name of (1R,2R)-1-amino-1-(4-ethylsulfonylphenyl)propan-2-ol (CID 121290550) is (1R,2R)-1-amino-1-(4-ethylsulfonylphenyl)propan-2-ol.
What is the SMILES notation for (1R,2R)-1-amino-1-(4-ethylsulfonylphenyl)propan-2-ol?
The canonical SMILES for (1R,2R)-1-amino-1-(4-ethylsulfonylphenyl)propan-2-ol is CCS(=O)(=O)c1ccc([C@@H](N)[C@@H](C)O)cc1.
What is the InChIKey of (1R,2R)-1-amino-1-(4-ethylsulfonylphenyl)propan-2-ol?
The InChIKey is ATPCVRPRXZDQGC-KCJUWKMLSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-3-16(14,15)10-6-4-9(5-7-10)11(12)8(2)13/h4-8,11,13H,3,12H2,1-2H3/t8-,11+/m1/s1.
What are the key properties of (1R,2R)-1-amino-1-(4-ethylsulfonylphenyl)propan-2-ol?
(1R,2R)-1-amino-1-(4-ethylsulfonylphenyl)propan-2-ol has a molecular weight of 243.33 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-amino-1-(4-ethylsulfonylphenyl)propan-2-ol is sourced from PubChem (CID 121290550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).