O-[[2-(oxetan-3-ylsulfonyl)phenyl]methyl]hydroxylamine

C10H13NO4S — CID 117359913

IUPACO-[[2-(oxetan-3-ylsulfonyl)phenyl]methyl]hydroxylamine
SMILESNOCc1ccccc1S(=O)(=O)C1COC1
InChIInChI=1S/C10H13NO4S/c11-15-5-8-3-1-2-4-10(8)16(12,13)9-6-14-7-9/h1-4,9H,5-7,11H2
InChIKeyLZZAFWMJMZMDQE-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.25
Rot. Bonds4

About O-[[2-(oxetan-3-ylsulfonyl)phenyl]methyl]hydroxylamine

O-[[2-(oxetan-3-ylsulfonyl)phenyl]methyl]hydroxylamine (PubChem CID 117359913) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is O-[[2-(oxetan-3-ylsulfonyl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[2-(oxetan-3-ylsulfonyl)phenyl]methyl]hydroxylamine
PubChem CID117359913
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC NameO-[[2-(oxetan-3-ylsulfonyl)phenyl]methyl]hydroxylamine
SMILESNOCc1ccccc1S(=O)(=O)C1COC1
InChIInChI=1S/C10H13NO4S/c11-15-5-8-3-1-2-4-10(8)16(12,13)9-6-14-7-9/h1-4,9H,5-7,11H2
InChIKeyLZZAFWMJMZMDQE-UHFFFAOYSA-N
XLogP0.25
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[2-(oxetan-3-ylsulfonyl)phenyl]ethanamine
CID 117391546
2-(oxetan-3-ylsulfonyl)phenol
CID 84680337
3-amino-3-[2-(oxetan-3-ylsulfonyl)phenyl]propanoic acid
CID 117459436
2-[2-(oxetan-3-ylsulfonyl)phenyl]piperidine
CID 117451635
O-[(2-cyclopropylphenyl)methyl]hydroxylamine
CID 130051867
2-(oxetan-3-ylmethyl)benzenesulfonamide
CID 142797710
3-methyl-3-[2-(oxetan-3-ylsulfonyl)phenyl]butanoic acid
CID 117480896
O-[(2-methylsulfanyl-3-methylsulfonylphenyl)methyl]hydroxylamine
CID 117370949
5-[2-(oxetan-3-ylsulfonyl)phenyl]-1H-pyrazol-3-amine
CID 117447698
(2-cyclobutylsulfonylphenyl)methanol
CID 84690547
1-(2-cyclopropylsulfonylphenyl)-N-methoxymethanamine
CID 117355562
5-[2-(oxetan-3-ylsulfonyl)phenyl]pyrrolidine-3-carboxylic acid
CID 117496210

Frequently Asked Questions

What is the IUPAC name of O-[[2-(oxetan-3-ylsulfonyl)phenyl]methyl]hydroxylamine?
The IUPAC name of O-[[2-(oxetan-3-ylsulfonyl)phenyl]methyl]hydroxylamine (CID 117359913) is O-[[2-(oxetan-3-ylsulfonyl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[2-(oxetan-3-ylsulfonyl)phenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[2-(oxetan-3-ylsulfonyl)phenyl]methyl]hydroxylamine is NOCc1ccccc1S(=O)(=O)C1COC1.
What is the InChIKey of O-[[2-(oxetan-3-ylsulfonyl)phenyl]methyl]hydroxylamine?
The InChIKey is LZZAFWMJMZMDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c11-15-5-8-3-1-2-4-10(8)16(12,13)9-6-14-7-9/h1-4,9H,5-7,11H2.
What are the key properties of O-[[2-(oxetan-3-ylsulfonyl)phenyl]methyl]hydroxylamine?
O-[[2-(oxetan-3-ylsulfonyl)phenyl]methyl]hydroxylamine has a molecular weight of 243.28 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[2-(oxetan-3-ylsulfonyl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 117359913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).