O-[2-(2-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine

C10H15NO4S — CID 117365223

IUPACO-[2-(2-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine
SMILESCOc1c(CCON)cccc1S(C)(=O)=O
InChIInChI=1S/C10H15NO4S/c1-14-10-8(6-7-15-11)4-3-5-9(10)16(2,12)13/h3-5H,6-7,11H2,1-2H3
InChIKeyPOVWETYGZLGLOA-UHFFFAOYSA-N
MW245.30 g/mol
LogP0.53
Rot. Bonds5

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

O-[2-(2-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine (PubChem CID 117365223) has the molecular formula C10H15NO4S and a molecular weight of 245.30 g/mol. Its IUPAC name is O-[2-(2-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(2-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine
PubChem CID117365223
Molecular FormulaC10H15NO4S
Molecular Weight245.30 g/mol
Exact Mass245.07
IUPAC NameO-[2-(2-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine
SMILESCOc1c(CCON)cccc1S(C)(=O)=O
InChIInChI=1S/C10H15NO4S/c1-14-10-8(6-7-15-11)4-3-5-9(10)16(2,12)13/h3-5H,6-7,11H2,1-2H3
InChIKeyPOVWETYGZLGLOA-UHFFFAOYSA-N
XLogP0.53
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 50.53
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

O-[2-(2,3-dimethoxyphenyl)ethyl]hydroxylamine
CID 83484924
3-(2-methoxy-3-methylsulfonylphenyl)-2,2-dimethylpropanoic acid
CID 117461941
O-[2-(2-methoxy-3-methylsulfanylphenyl)ethyl]hydroxylamine
CID 117304504
O-[2-[3-[(dimethylamino)methyl]-2-methoxyphenyl]ethyl]hydroxylamine
CID 117322409
O-[2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethyl]hydroxylamine
CID 117412246
O-[2-(3-chloro-4-methoxy-5-methylsulfonylphenyl)ethyl]hydroxylamine
CID 117448848
O-[2-[2,3-dimethoxy-4-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117355228
2-methoxy-3-methylsulfonylbenzamide
CID 70437297
O-[2-(4-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine
CID 117365224
2-[(2-methoxy-3-methylsulfonylphenyl)methyl]piperidine
CID 117455719
O-[(2-methylsulfanyl-3-methylsulfonylphenyl)methyl]hydroxylamine
CID 117370949
O-[2-(2-methoxy-3-phenylmethoxyphenyl)ethyl]hydroxylamine
CID 117435855

Frequently Asked Questions

What is the IUPAC name of O-[2-(2-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(2-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine (CID 117365223) is O-[2-(2-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(2-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(2-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine is COc1c(CCON)cccc1S(C)(=O)=O.
What is the InChIKey of O-[2-(2-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine?
The InChIKey is POVWETYGZLGLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S/c1-14-10-8(6-7-15-11)4-3-5-9(10)16(2,12)13/h3-5H,6-7,11H2,1-2H3.
What are the key properties of O-[2-(2-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine?
O-[2-(2-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine has a molecular weight of 245.30 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(2-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine is sourced from PubChem (CID 117365223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).