amino-(4-methylsulfonylphenyl)methanol

C8H11NO3S — CID 116939660

IUPACamino-(4-methylsulfonylphenyl)methanol
SMILESCS(=O)(=O)c1ccc(C(N)O)cc1
InChIInChI=1S/C8H11NO3S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5,8,10H,9H2,1H3
InChIKeyTWRSZGUZACEOOQ-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.04
Rot. Bonds2

About amino-(4-methylsulfonylphenyl)methanol

amino-(4-methylsulfonylphenyl)methanol (PubChem CID 116939660) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is amino-(4-methylsulfonylphenyl)methanol.

Molecular Properties

Compound Nameamino-(4-methylsulfonylphenyl)methanol
PubChem CID116939660
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Nameamino-(4-methylsulfonylphenyl)methanol
SMILESCS(=O)(=O)c1ccc(C(N)O)cc1
InChIInChI=1S/C8H11NO3S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5,8,10H,9H2,1H3
InChIKeyTWRSZGUZACEOOQ-UHFFFAOYSA-N
XLogP0.04
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.04
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

amino-(4-ethylsulfonylphenyl)methanol
CID 116939662
ethane;(1S)-1-(4-methylsulfonylphenyl)ethanol
CID 143418064
chloro-(4-methylsulfonylphenyl)methanol
CID 172793429
(1R,2S)-2-amino-1-(4-methylsulfonylphenyl)propane-1,3-diol
CID 12936087
(2S,3R)-2-amino-3-hydroxy-3-(4-methylsulfonylphenyl)propanoic acid
CID 67747060
(2S)-2-amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol
CID 69143338
(2R)-2-amino-2-(4-methylsulfonylphenyl)ethanol;hydrochloride
CID 142503487
3-methyl-1-(4-methylsulfonylphenyl)but-2-en-1-amine
CID 105004743
(3R,4S)-3-amino-4-hydroxy-4-(4-methylsulfonylphenyl)butanoic acid
CID 171777382
(4-fluorophenyl)-(4-methylsulfonylphenyl)methanamine
CID 24689230
(1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride
CID 162344090
2-bromo-1-(4-methylsulfonylphenyl)ethanol
CID 13337385

Frequently Asked Questions

What is the IUPAC name of amino-(4-methylsulfonylphenyl)methanol?
The IUPAC name of amino-(4-methylsulfonylphenyl)methanol (CID 116939660) is amino-(4-methylsulfonylphenyl)methanol.
What is the SMILES notation for amino-(4-methylsulfonylphenyl)methanol?
The canonical SMILES for amino-(4-methylsulfonylphenyl)methanol is CS(=O)(=O)c1ccc(C(N)O)cc1.
What is the InChIKey of amino-(4-methylsulfonylphenyl)methanol?
The InChIKey is TWRSZGUZACEOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5,8,10H,9H2,1H3.
What are the key properties of amino-(4-methylsulfonylphenyl)methanol?
amino-(4-methylsulfonylphenyl)methanol has a molecular weight of 201.25 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(4-methylsulfonylphenyl)methanol is sourced from PubChem (CID 116939660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).