amino-(4-ethylsulfonylphenyl)methanol

C9H13NO3S — CID 116939662

IUPACamino-(4-ethylsulfonylphenyl)methanol
SMILESCCS(=O)(=O)c1ccc(C(N)O)cc1
InChIInChI=1S/C9H13NO3S/c1-2-14(12,13)8-5-3-7(4-6-8)9(10)11/h3-6,9,11H,2,10H2,1H3
InChIKeyCEDTWCLSHUETEA-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.43
Rot. Bonds3

About amino-(4-ethylsulfonylphenyl)methanol

amino-(4-ethylsulfonylphenyl)methanol (PubChem CID 116939662) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is amino-(4-ethylsulfonylphenyl)methanol.

Molecular Properties

Compound Nameamino-(4-ethylsulfonylphenyl)methanol
PubChem CID116939662
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Nameamino-(4-ethylsulfonylphenyl)methanol
SMILESCCS(=O)(=O)c1ccc(C(N)O)cc1
InChIInChI=1S/C9H13NO3S/c1-2-14(12,13)8-5-3-7(4-6-8)9(10)11/h3-6,9,11H,2,10H2,1H3
InChIKeyCEDTWCLSHUETEA-UHFFFAOYSA-N
XLogP0.43
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1R,2R)-1-amino-1-(4-ethylsulfonylphenyl)propan-2-ol
CID 121290550
amino-(4-ethylsulfonylphenyl)methanethiol
CID 116939510
amino-(4-methylsulfonylphenyl)methanol
CID 116939660
3-amino-3-(4-ethylsulfonylphenyl)propan-1-ol;hydrochloride
CID 166644481
cyclopropyl-(4-ethylsulfonylphenyl)methanamine
CID 71015786
2-amino-1-(4-ethylsulfonylphenyl)ethanethiol
CID 116868654
2-(4-ethylsulfonylphenyl)-2-fluoroethanol
CID 105425917
[(2R)-2-amino-2-(4-ethylsulfonylphenyl)ethyl] carbamate;hydrochloride
CID 166644392
1-amino-4-(4-ethylsulfonylphenyl)hexan-2-ol
CID 83927251
2-amino-N-(4-ethylsulfonylphenyl)butanamide
CID 43704509
(2S)-2-amino-N-(4-ethylsulfonylphenyl)butanamide
CID 79024721
[3-amino-3-(4-ethylsulfonylphenyl)propyl]-methylcarbamic acid
CID 175154396

Frequently Asked Questions

What is the IUPAC name of amino-(4-ethylsulfonylphenyl)methanol?
The IUPAC name of amino-(4-ethylsulfonylphenyl)methanol (CID 116939662) is amino-(4-ethylsulfonylphenyl)methanol.
What is the SMILES notation for amino-(4-ethylsulfonylphenyl)methanol?
The canonical SMILES for amino-(4-ethylsulfonylphenyl)methanol is CCS(=O)(=O)c1ccc(C(N)O)cc1.
What is the InChIKey of amino-(4-ethylsulfonylphenyl)methanol?
The InChIKey is CEDTWCLSHUETEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-2-14(12,13)8-5-3-7(4-6-8)9(10)11/h3-6,9,11H,2,10H2,1H3.
What are the key properties of amino-(4-ethylsulfonylphenyl)methanol?
amino-(4-ethylsulfonylphenyl)methanol has a molecular weight of 215.27 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(4-ethylsulfonylphenyl)methanol is sourced from PubChem (CID 116939662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).