O-[2-(3-methyl-4-methylsulfonylphenyl)ethyl]hydroxylamine

C10H15NO3S — CID 117330881

IUPACO-[2-(3-methyl-4-methylsulfonylphenyl)ethyl]hydroxylamine
SMILESCc1cc(CCON)ccc1S(C)(=O)=O
InChIInChI=1S/C10H15NO3S/c1-8-7-9(5-6-14-11)3-4-10(8)15(2,12)13/h3-4,7H,5-6,11H2,1-2H3
InChIKeyJZIWSYMMCBAKTC-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.83
Rot. Bonds4

About O-[2-(3-methyl-4-methylsulfonylphenyl)ethyl]hydroxylamine

O-[2-(3-methyl-4-methylsulfonylphenyl)ethyl]hydroxylamine (PubChem CID 117330881) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is O-[2-(3-methyl-4-methylsulfonylphenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(3-methyl-4-methylsulfonylphenyl)ethyl]hydroxylamine
PubChem CID117330881
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC NameO-[2-(3-methyl-4-methylsulfonylphenyl)ethyl]hydroxylamine
SMILESCc1cc(CCON)ccc1S(C)(=O)=O
InChIInChI=1S/C10H15NO3S/c1-8-7-9(5-6-14-11)3-4-10(8)15(2,12)13/h3-4,7H,5-6,11H2,1-2H3
InChIKeyJZIWSYMMCBAKTC-UHFFFAOYSA-N
XLogP0.83
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of O-[2-(3-methyl-4-methylsulfonylphenyl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(3-methyl-4-methylsulfonylphenyl)ethyl]hydroxylamine (CID 117330881) is O-[2-(3-methyl-4-methylsulfonylphenyl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(3-methyl-4-methylsulfonylphenyl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(3-methyl-4-methylsulfonylphenyl)ethyl]hydroxylamine is Cc1cc(CCON)ccc1S(C)(=O)=O.
What is the InChIKey of O-[2-(3-methyl-4-methylsulfonylphenyl)ethyl]hydroxylamine?
The InChIKey is JZIWSYMMCBAKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-8-7-9(5-6-14-11)3-4-10(8)15(2,12)13/h3-4,7H,5-6,11H2,1-2H3.
What are the key properties of O-[2-(3-methyl-4-methylsulfonylphenyl)ethyl]hydroxylamine?
O-[2-(3-methyl-4-methylsulfonylphenyl)ethyl]hydroxylamine has a molecular weight of 229.30 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(3-methyl-4-methylsulfonylphenyl)ethyl]hydroxylamine is sourced from PubChem (CID 117330881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).