(1R)-1-(3-amino-4-methylsulfonylphenyl)ethanol

C9H13NO3S — CID 124908033

IUPAC(1R)-1-(3-amino-4-methylsulfonylphenyl)ethanol
SMILESC[C@@H](O)c1ccc(S(C)(=O)=O)c(N)c1
InChIInChI=1S/C9H13NO3S/c1-6(11)7-3-4-9(8(10)5-7)14(2,12)13/h3-6,11H,10H2,1-2H3/t6-/m1/s1
InChIKeyJCRXHLIXDVGWDF-ZCFIWIBFSA-N
MW215.27 g/mol
LogP0.73
Rot. Bonds2

About (1R)-1-(3-amino-4-methylsulfonylphenyl)ethanol

(1R)-1-(3-amino-4-methylsulfonylphenyl)ethanol (PubChem CID 124908033) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is (1R)-1-(3-amino-4-methylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(3-amino-4-methylsulfonylphenyl)ethanol
PubChem CID124908033
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name(1R)-1-(3-amino-4-methylsulfonylphenyl)ethanol
SMILESC[C@@H](O)c1ccc(S(C)(=O)=O)c(N)c1
InChIInChI=1S/C9H13NO3S/c1-6(11)7-3-4-9(8(10)5-7)14(2,12)13/h3-6,11H,10H2,1-2H3/t6-/m1/s1
InChIKeyJCRXHLIXDVGWDF-ZCFIWIBFSA-N
XLogP0.73
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-methylsulfonylbenzene-1,3-diamine
CID 67023137
2-amino-4-[(1R)-1-hydroxyethyl]phenol
CID 96570825
(1S)-1-(3-amino-4-fluorophenyl)ethanol
CID 70331602
5-fluoro-2-methylsulfonylaniline
CID 22567345
(3-amino-4-methylsulfonylphenyl)boronic acid
CID 119086618
5-bromo-2-methylsulfonylaniline;ethane
CID 145185380
ethane;(1S)-1-(4-methylsulfonylphenyl)ethanol
CID 143418064
4,6-bis(methylsulfonyl)benzene-1,3-diamine
CID 177497967
3-amino-4-methylsulfonylbenzenesulfonyl fluoride
CID 44725262
1-(4-amino-3-chlorophenyl)ethanol
CID 126971129
methyl 3-amino-4-methylsulfonylbenzoate
CID 19096023
3-amino-N-methyl-4-methylsulfonylbenzenesulfonamide
CID 67169234

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-amino-4-methylsulfonylphenyl)ethanol?
The IUPAC name of (1R)-1-(3-amino-4-methylsulfonylphenyl)ethanol (CID 124908033) is (1R)-1-(3-amino-4-methylsulfonylphenyl)ethanol.
What is the SMILES notation for (1R)-1-(3-amino-4-methylsulfonylphenyl)ethanol?
The canonical SMILES for (1R)-1-(3-amino-4-methylsulfonylphenyl)ethanol is C[C@@H](O)c1ccc(S(C)(=O)=O)c(N)c1.
What is the InChIKey of (1R)-1-(3-amino-4-methylsulfonylphenyl)ethanol?
The InChIKey is JCRXHLIXDVGWDF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-6(11)7-3-4-9(8(10)5-7)14(2,12)13/h3-6,11H,10H2,1-2H3/t6-/m1/s1.
What are the key properties of (1R)-1-(3-amino-4-methylsulfonylphenyl)ethanol?
(1R)-1-(3-amino-4-methylsulfonylphenyl)ethanol has a molecular weight of 215.27 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-amino-4-methylsulfonylphenyl)ethanol is sourced from PubChem (CID 124908033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).